Virtually screened ligands of FAS Receptor

ZINC ID:
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Rank Zinc_Id Compound Delta_G Mol_wt ES Vdw Desolv RotBond Availability
120254485
 N-(2-aminoethyl)pyrrolidine-1-sulfonamide		-63.47194.280-75.1612.61p=-0.98, ap=0.07
4
UORSY BB Make-on-demand:BBV-32186683
Enamine BB Make on Demand:BBV-32186683
219583674
 MFCD01025468		-54.93222.266-67.001.53p=10.27, ap=0.27
3
UORSY BB Make-on-demand:BBV-191909
Matrix Scientific:021445
363887176
 N-ethyl-2-oxo-benzimidazole-5-sulfonamide		-54.87241.272-15.02-13.58p=-26.92, ap=0.64
3
Molport:MolPort-008-431-209
419583672
 MFCD01025468		-54.32222.266-68.915.89p=8.48, ap=0.22
3
UORSY BB Make-on-demand:BBV-191909
Matrix Scientific:021445
539962616
 N,N-dimethyl-2-oxo-benzimidazole-5-sulfonamide		-51.06241.272-13.75-14.44p=-23.46, ap=0.58
2
Molport:MolPort-002-257-396
6182069
-45.63241.312-24.56-16.76p=-2.71, ap=-1.60
3
Innovapharm:STT-00338365
NCI Plated 2007:61573
Princeton BioMolecular Research:OSSL_290000
eMolecules:1233461
TimTec:ST50646574
Enamine BB Make on Demand:BBV-39256082
UORSY BB Make-on-demand:BBV-39256082
Molport:MolPort-001-525-759
761447538
 (2R)-1-[(1-methylimidazol-2-yl)methyl]-5-oxo-pyrrolidine-2-carboxylic		-40.57222.224-28.40-18.31p=8.06, ap=-1.91
3
Enamine BB Make on Demand:BBV-36835870
UORSY BB Make-on-demand:BBV-36835870
877415895
 3-(1H-indol-3-ylcarbamoylamino)propanoic		-40.52246.246-28.76-19.08p=7.51, ap=-0.19
4
NA
920316225
 2-[3-(2H-pyrazol-3-ylmethylcarbamoyl)pyrazol-1-yl]acetic		-40.10248.222-26.61-21.65p=8.38, ap=-0.22
5
NA
1082551636
 4-[4-(1H-pyrrol-3-yl)thiazol-2-yl]butanoic		-39.85236.296-34.73-21.09p=18.09, ap=-2.12
5
NA
1157537799
 (3S)-3-amino-4-tetralin-5-yloxy-butanoic		-39.84249.310-25.31-18.99p=7.46, ap=-3.00
5
NA
1277365976
 (2-methyl-1H-benzimidazol-5-yl)methyl		-39.64233.271-20.42-22.13p=4.82, ap=-1.92
5
NA
1357952476
 (2R)-2-amino-4-(3-methoxyphenyl)-4-oxo-butanoic		-39.14223.228-25.38-19.68p=8.12, ap=-2.20
5
UORSY BB Make-on-demand:BBV-44250189
Enamine BB Make on Demand:BBV-44250189
1477401216
 4-[1H-indol-3-yl(methyl)amino]-4-oxo-butanoic		-39.09245.258-37.30-17.93p=18.23, ap=-2.10
4
NA
1533435118
 2-(3-indolin-1-ylpropanoylamino)acetic		-39.03247.274-33.30-19.22p=15.49, ap=-2.00
5
NA
1657951717
 (2R)-2-amino-4-(4-ethylphenyl)-4-oxo-butanoic		-39.01220.248-23.27-19.49p=6.49, ap=-2.75
5
UORSY BB Make-on-demand:BBV-44250185
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1740309094
 2-(3-indol-1-ylpropanoylamino)acetic		-38.95245.258-31.58-20.12p=15.67, ap=-2.93
5
Pharmeks:PHAR252567
eMolecules:30498242
ChemBridge:9323378
Molport:MolPort-008-348-128
IBScreen NP:STOCK1N-74654
Ambinter:Amb13777553
Otava:6242065
Mcule:MCULE-5885487764
18186351
 N-Quinolin-8-yl-succinamic acid		-38.86244.250-27.55-22.54p=12.74, ap=-1.51
4
Asinex:BAS00546498
Matrix Scientific:009934
Asinex Building Blocks:BAS00546498
Vitas-M BB:BBL002629
Vitas-M:STK326059
Aldrich CPR:L202223
ALDRICH
ChemBridge:5134090
IBScreen:STOCK3S-34949
1983363133
 (3R)-3-amino-4-(o-tolylmethylamino)-4-oxo-butanoic		-38.81235.263-24.99-18.30p=6.85, ap=-2.37
5
UORSY BB Make-on-demand:BBV-39452941
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2076161347
 (2S)-2-amino-3-[1-(3-aminophenyl)imidazol-2-yl]propanoic		-38.60246.270-25.10-19.14p=7.62, ap=-1.98
4
NA
2157954458
 (2R)-2-amino-4-(4-isopropylphenyl)-4-oxo-butanoic		-38.52234.275-24.74-17.71p=6.45, ap=-2.52
5
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2219951939
 methyl		-38.37243.266-17.80-22.78p=3.75, ap=-1.55
4
NA
2383703189
 4-[(1R)-5-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-4-oxo-butanoic		-38.32249.266-38.55-16.15p=17.49, ap=-1.11
4
NA
2462302276
 3-[2-(3-methylphenoxy)ethyl]triazole-4-carboxylic		-38.31246.246-22.10-22.23p=7.86, ap=-1.84
5
NA
2537794417
 4-(4-carbamoyl-2-methyl-anilino)-4-oxo-butanoic		-38.25249.246-24.76-21.29p=8.37, ap=-0.57
5
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2682548333
 (3R)-3-amino-4-(2,5-dimethylanilino)-4-oxo-butanoic		-38.19236.271-25.20-17.22p=6.55, ap=-2.32
4
UORSY BB Make-on-demand:BBV-39452607
Enamine BB Make on Demand:BBV-39452607
2795475900
 N-(1H-imidazol-2-yl)-1-methyl-indole-5-carboxamide		-38.09240.266-21.13-20.34p=5.90, ap=-2.53
1
Vitas-M:STL313840
Molport:MolPort-027-715-077
Mcule:MCULE-7409946540
Mcule Make-on-demand:MCULE-7409946540
Otava (Virtual):6436122
eMolecules:44754496
Ambinter:Amb22012576
IBScreen:STOCK7S-37132
2883365489
 (3R)-3-amino-4-[(2-hydroxyphenyl)methylamino]-4-oxo-butanoic		-38.06238.243-25.71-18.83p=7.82, ap=-1.34
5
NA
2983364574
 (2R)-2-amino-4-[(4-aminophenyl)methylamino]-4-oxo-butanoic		-38.01237.259-26.18-17.77p=6.73, ap=-0.79
5
NA
3061447077
 1-[(3-cyanophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid		-37.93243.242-29.60-21.43p=16.01, ap=-2.90
3
UORSY BB Make-on-demand:BBV-36865746
Enamine Building Blocks:EN300-175150
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3176161617
 (2S)-2-amino-3-(2-benzylpyrazol-3-yl)propanoic		-37.93245.282-23.22-20.12p=7.61, ap=-2.19
5
NA
3296963007
 (2R)-2-amino-3-(7-methoxy-4-methyl-1H-indol-3-yl)propanoic		-37.91248.282-25.99-17.16p=7.52, ap=-2.28
4
NA
3383076005
 (3R)-3-amino-3-(4,7-dimethyl-1H-indol-3-yl)propanoic		-37.88232.283-28.33-15.30p=8.35, ap=-2.60
3
NA
3471549992
 6-(2-cyanoanilino)pyrimidine-4-carboxylic		-37.87239.214-32.49-19.19p=16.22, ap=-2.40
3
NA
3582613312
 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoylamino]acetic		-37.86249.206-35.78-19.39p=17.71, ap=-0.41
3
NA
3683367753
 (3R)-3-amino-4-[(2-fluorophenyl)methylamino]-4-oxo-butanoic		-37.83240.234-26.91-17.06p=8.16, ap=-2.01
5
UORSY BB Make-on-demand:BBV-39452618
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3740538279
 (2R)-2-amino-3-(7-ethyl-1H-indol-3-yl)propanoic		-37.79232.283-24.79-17.59p=7.34, ap=-2.74
4
Molport BB:MolPort-008-424-980
3879481265
 N-(1H-imidazol-2-yl)-1-methyl-indole-6-carboxamide		-37.79240.266-20.90-19.35p=4.83, ap=-2.37
1
IBScreen:STOCK7S-32411
eMolecules:44208416
Vitas-M:STL313949
Mcule:MCULE-1047979334
Molport:MolPort-023-295-254
Mcule Make-on-demand:MCULE-1047979334
Otava (Virtual):6436124
Ambinter:Amb21923608
3940911109
 2-methyl-2-(thieno[3,2-c]pyridin-4-ylamino)propanoic		-37.77236.296-27.53-19.93p=12.03, ap=-2.33
3
UORSY BB Make-on-demand:BBV-32616888
Enamine BB Make on Demand:BBV-32616888
4018173936
 N-propyl-2-(p-tolylcarbamoylamino)acetamide		-37.75249.314-18.43-21.78p=3.85, ap=-1.40
5
UORSY Make-on-demand:PB68651115
411281277
 2-(2,4-dimethoxyanilino)-4(3H)-pyrimidinone		-37.73247.254-16.42-24.19p=4.34, ap=-1.46
4
Molport:MolPort-019-724-105
Specs Building Blocks:AN-584/42955658
Molport BB:MolPort-019-724-105
Ryan Scientific BB:073-52473
4283075960
 (2S)-3-amino-2-(5-ethyl-1H-indol-3-yl)propanoic		-37.73232.283-26.19-17.61p=8.14, ap=-2.07
4
NA
4376137725
 (2S)-2-(aminomethyl)-3-(7-methylimidazo[2,1-c][1,2,4]triazol-3-yl)propanoic		-37.67223.236-28.61-14.45p=8.55, ap=-3.17
4
NA
4440911688
 2-methyl-2-(3-pyridylcarbamoylamino)propanoic		-37.66222.224-35.40-16.16p=14.64, ap=-0.74
3
UORSY BB Make-on-demand:BBV-32617177
Enamine BB Make on Demand:BBV-32617177
4557343207
 2-(2-Fluoro-phenylamino)-6-methoxymethyl-pyrimidin-4-ol		-37.64248.237-15.02-24.74p=4.27, ap=-2.14
4
Molport:MolPort-019-868-098
PBMR Labs Building Blocks:RBK_034176
4683376411
 (3S)-3-amino-3-(5-benzyl-1,3,4-oxadiazol-2-yl)propanoic		-37.63246.246-27.71-14.71p=6.45, ap=-1.66
5
NA
4782740589
 3-[(5-cyano-1H-benzimidazol-2-yl)amino]propanoic		-37.62229.219-27.90-21.03p=13.54, ap=-2.24
4
NA
4834120626
 (2R,3S)-2,3-dihydroxy-4-(2-methylanilino)-4-oxo-butanoic		-37.61238.219-24.44-21.16p=7.92, ap=0.07
4
NA
4945946835
 4-(4-Methyl-6-oxo-1,6-dihydro-pyrimidin-2-yloxy)-benzoic acid		-37.58244.206-18.01-23.17p=3.82, ap=-0.23
3
Molport BB:MolPort-008-432-724
PBMR Labs Building Blocks:RBK_039497
5076172087
 (2R)-2-(methylamino)-2-[4-(2-pyridyl)thiazol-2-yl]acetic		-37.58249.295-23.96-19.79p=8.31, ap=-2.13
4
NA
5183376945
 (2R)-4-amino-2-hydroxy-N-(1H-indol-5-ylmethyl)butanamide		-37.58248.306-16.67-21.96p=2.40, ap=-1.34
5
NA
5257534982
 (3R)-3-amino-4-(1-naphthyloxy)butanoic		-37.55245.278-23.67-18.75p=7.60, ap=-2.73
5
NA
5383330854
 (3R)-3-amino-3-(1,4-dimethylindol-3-yl)propanoic		-37.54231.275-28.28-14.94p=8.26, ap=-2.57
3
NA
5437789038
 4-(1H-indazol-4-ylamino)-4-oxo-butanoic		-37.53232.219-37.76-17.94p=18.98, ap=-0.81
4
UORSY BB Make-on-demand:BBV-32144265
Enamine BB Make on Demand:BBV-32144265
5538017794
 2-[ethyl-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic		-37.52248.306-27.53-16.42p=9.44, ap=-3.00
5
 UORSY BB Make-on-demand:BBV-32288477
Enamine BB Make on Demand:BBV-32288477
5683376390
 (2R)-2-amino-4-[(2-cyanophenyl)methylamino]-4-oxo-butanoic		-37.52247.254-24.13-18.55p=6.94, ap=-1.78
5
NA
5719425624
 2-[4-[(2-acetamidoacetyl)amino]phenyl]acetic		-37.50249.246-39.34-19.79p=21.79, ap=-0.17
5
UORSY BB Make-on-demand:BBV-061283
Enamine BB Make on Demand:BBV-061283
5835122495
 4-(3-chloro-2-fluoro-anilino)-4-oxo-butanoic		-37.50244.629-26.81-20.19p=11.12, ap=-1.62
4
UORSY BB Make-on-demand:BBV-25033491
Enamine BB Make on Demand:BBV-25033491
5977398708
 (2R)-2-amino-3-(2-cyclopropyl-1H-benzimidazol-5-yl)propanoic		-37.47245.282-23.97-18.75p=7.43, ap=-2.18
4
NA
6037794153
 4-(3-carbamoyl-2-methyl-anilino)-4-oxo-butanoic		-37.46249.246-30.40-19.54p=13.48, ap=-1.00
5
UORSY BB Make-on-demand:BBV-32147617
Enamine BB Make on Demand:BBV-32147617
6183359672
 (2R)-2-amino-3-hydroxy-N-(1H-indol-5-ylmethyl)propanamide		-37.46233.271-19.29-21.47p=3.57, ap=-0.27
4
NA
6257535487
 (3R)-3-amino-4-(8-quinolyloxy)butanoic		-37.45245.258-25.69-18.64p=9.29, ap=-2.43
5
NA
6357956201
 (2R)-2-amino-4-oxo-4-tetralin-6-yl-butanoic		-37.45247.294-19.63-20.81p=5.88, ap=-2.89
4
NA
6483336100
 (2S)-3-amino-2-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propanoic		-37.45235.223-27.37-18.01p=8.35, ap=-0.41
4
NA
6540550323
 (2R)-2-[(2-cyanophenyl)carbamoylamino]propanoic		-37.44232.219-34.34-16.92p=15.09, ap=-1.26
3
UORSY BB Make-on-demand:BBV-33207792
UORSY BB Make-on-demand:BBV-32538093
Enamine BB Make on Demand:BBV-32538093
Enamine BB Make on Demand:BBV-33207792
Otava (Virtual):10077725
6671533936
 6-(N-methylanilino)pyrimidine-4-carboxylic		-37.43228.231-31.54-18.46p=15.69, ap=-3.11
3
Molport:MolPort-022-925-728
6772416560
 2-[(4R)-2-anilino-5-oxo-1,4-dihydroimidazol-4-yl]acetic		-37.43232.219-32.64-16.02p=12.75, ap=-1.52
4
Innovapharm BB Make on Demand:BBV-00077167
6882547862
 (4R)-3-(m-tolylmethyl)-2-oxo-oxazolidine-4-carboxylic		-37.43234.231-28.55-20.60p=14.49, ap=-2.76
3
NA
6935137614
 N-(2-amino-2-oxo-ethyl)-3-(1H-indol-3-yl)propanamide		-37.42245.282-20.37-20.92p=4.84, ap=-0.97
5
Enamine BB Make on Demand:BBV-39263898
UORSY BB Make-on-demand:BBV-39263898
Life Chemicals (Virtual):F5882-5779
7097405789
 4-hydroxy-N-(2-hydroxyethyl)-7-methyl-1,8-naphthyridine-3-carboxamide		-37.41246.246-22.68-18.88p=5.32, ap=-1.16
3
NA
7182311110
 2-amino-5-[2-(hydroxymethyl)phenyl]sulfanyl-phenol		-37.39247.319-17.73-21.99p=2.33, ap=0.00
3
NA
7283335336
 (2R)-2-amino-3-(6-pyrrolidin-1-yl-2-pyridyl)propanoic		-37.39236.295-24.23-18.28p=7.78, ap=-2.65
4
NA
7382549114
 (3S)-3-amino-4-(2-methoxyanilino)-4-oxo-butanoic		-37.38238.243-29.97-14.74p=8.68, ap=-1.36
5
UORSY BB Make-on-demand:BBV-39452543
Enamine BB Make on Demand:BBV-39452543
7483359673
 (2R)-2-amino-3-hydroxy-N-(1H-indol-6-ylmethyl)propanamide		-37.37233.271-18.70-21.06p=3.06, ap=-0.67
4
NA
7575753338
 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]propanoic		-37.34249.677-25.83-22.33p=13.30, ap=-2.48
4
Otava:3895243
Otava Premium BB:3895243
7683382290
 3-[2-(5-hydroxy-3-pyridyl)thiazol-4-yl]propanoic		-37.34249.271-28.42-18.55p=11.51, ap=-1.89
4
NA
7783369367
 (2S)-2-amino-N-(1H-indol-7-ylmethyl)pent-4-ynamide		-37.33242.302-18.91-19.61p=2.70, ap=-1.51
4
NA
7819845137
 2-[(2,4-difluorophenyl)amino]pyridine-4-carboxylic		-37.32249.196-33.19-18.14p=15.90, ap=-1.88
3
UORSY BB Make-on-demand:BBV-107542
Enamine BB Make on Demand:BBV-107542
7977422618
 (4-dimethylaminophenyl)methyl		-37.32248.326-16.41-21.60p=3.02, ap=-2.33
5
NA
8082554468
 (4R)-3-[(4-ethylphenyl)methyl]-2-oxo-oxazolidine-4-carboxylic		-37.30248.258-27.76-20.29p=13.43, ap=-2.68
4
NA
8196963784
 (2S)-2-amino-3-[5-(dimethylamino)-1H-indol-3-yl]propanoic		-37.30247.298-22.53-20.67p=7.80, ap=-1.90
4
NA
8276135563
 (2S)-2-amino-2-[4-(2-pyridyl)thiazol-2-yl]acetic		-37.29235.268-24.83-18.42p=8.02, ap=-2.06
3
NA
8382613017
 2-[(2-oxoindolin-5-yl)carbamoylamino]acetic		-37.29248.218-34.69-19.31p=17.20, ap=-0.49
3
NA
8476161004
 (2S)-2-amino-3-(4-phenylthiazol-2-yl)propanoic		-37.28248.307-20.08-21.13p=6.47, ap=-2.54
4
NA
8576211445
 (3R)-3-(2-isopropyl-3H-benzimidazol-5-yl)butanoic		-37.28245.302-32.20-21.45p=19.21, ap=-2.84
4
NA
8633507721
 2-(3-hydroxyanilino)-4-methyl-thiazole-5-carboxylic		-37.27249.271-33.78-17.29p=14.05, ap=-0.25
3
Molport BB:MolPort-008-427-316
8783076028
 (2S)-3-amino-2-(4,5-dimethyl-1H-indol-3-yl)propanoic		-37.25232.283-25.27-20.15p=10.38, ap=-2.21
3
NA
8854071056
 (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]-methyl-amino]propanoic		-37.24249.290-33.72-17.58p=15.51, ap=-1.44
5
UORSY BB Make-on-demand:BBV-34635989
Enamine BB Make on Demand:BBV-34635989
8982302225
 (3S)-3-amino-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic		-37.20235.263-25.38-17.55p=8.13, ap=-2.40
5
UORSY BB Make-on-demand:BBV-39452534
UORSY BB Make-on-demand:BBV-39453551
Enamine BB Make on Demand:BBV-39453551
Enamine BB Make on Demand:BBV-39452534
9040176324
 1-(4-hydroxybenzo[h]quinolin-3-yl)ethanone		-37.19237.258-16.11-22.49p=4.13, ap=-2.72
1
Innovapharm BB Make on Demand:BBV-00039717
Molport BB:MolPort-007-989-103
9171571470
 6-(2-chloroanilino)pyrimidine-4-carboxylic		-37.19248.649-30.97-19.06p=15.21, ap=-2.37
3
NA
9290019929
 N-(1H-benzimidazol-2-yl)-2-(methylcarbamoylamino)acetamide		-37.19247.258-19.71-21.57p=5.13, ap=-1.04
2
NA
938652428
 BS-4-83		-37.17241.254-16.14-23.43p=4.72, ap=-2.32
2
Scientific Exchange (make on demand):C-096461
IBScreen Bioactives:Bio-0444
NCI Plated 2007:524409
Asinex:BAS02927258
eMolecules:1407433
ZereneX Building Blocks:ZBioX-0376
Princeton BioMolecular Research:OSSK_542409
Vitas-M:STK167609
9459644339
 (3S)-3-amino-4-[benzyl(methyl)amino]-4-oxo-butanoic		-37.16236.271-26.28-15.13p=6.68, ap=-2.44
5
UORSY BB Make-on-demand:BBV-39452599
Enamine BB Make on Demand:BBV-39452599
9582298972
 (2R,3S)-2-amino-3-(1-methylindol-3-yl)butanoic		-37.15232.283-25.94-16.39p=7.85, ap=-2.66
3
NA
9683035559
 (2R,3R)-2-(3-methyl-1,2,4-triazin-6-yl)-5-oxo-pyrrolidine-3-carboxylic		-37.14221.196-30.72-21.00p=14.99, ap=-0.41
2
NA
9757953797
 (2R)-2-amino-4-indan-5-yl-4-oxo-butanoic		-37.13233.267-22.89-18.66p=7.14, ap=-2.72
4
UORSY BB Make-on-demand:BBV-44250192
Enamine BB Make on Demand:BBV-44250192
9857535488
 (3S)-3-amino-4-(8-quinolyloxy)butanoic		-37.09245.258-27.97-16.07p=9.00, ap=-2.05
5
NA
99333115
 4-keto-4-(2-naphthoxy)butyrate		-37.07243.238-21.06-22.95p=10.41, ap=-3.46
5
NA
10077056258
 5-(benzimidazol-1-ylmethyl)isoxazole-4-carboxylic		-37.06242.214-20.41-22.63p=8.83, ap=-2.86
3
NA
10177365300
 2-(1H-indol-3-ylcarbamoylamino)acetic		-37.04232.219-30.21-19.92p=13.32, ap=-0.24
3
NA
1028581782
 2-(4-Methoxy-phenylamino)-6-methyl-pyrimidin-4-ol		-37.02231.255-13.59-26.13p=4.73, ap=-2.02
3
Innovapharm Make-on-Demand:VT-00595057
Innovapharm:STT-00221649
eMolecules:941226
Princeton BioMolecular Research:OSSK_484826
Molport BB:MolPort-000-694-933
Scientific Exchange (make on demand):M-681395
Otava:7712640077
Mcule:MCULE-2622092581
10348935580
 N-[2-(methoxymethyl)phenyl]-1H-triazole-4-carboxamide		-37.02232.243-26.83-18.84p=9.42, ap=-0.78
4
Enamine BB Make on Demand:BBV-42981220
10437795973
 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic		-37.01249.202-27.20-20.76p=11.19, ap=-0.24
4
UORSY BB Make-on-demand:BBV-32148595
Enamine BB Make on Demand:BBV-32148595
1058584678
 2-(2-methoxyphenyl)amino-6-methyl-pyrimidin-4-ol		-37.00231.255-15.86-23.24p=4.01, ap=-1.92
3
TimTec Make-on-Demand:ST50193463
Innovapharm:STT-00221648
ChemBridge:7964536
eMolecules:2268198
Otava:7712640075
Mcule Make-on-demand:MCULE-6319895456
Mcule:MCULE-6319895456
AKOS:AKOS002240830
1065625850
 1-[4-(4-Hydroxy-6-methyl-pyrimidin-2-ylamino)-phenyl]-ethanone		-36.99243.266-13.08-26.79p=5.33, ap=-2.44
3
Molport:MolPort-019-866-594
PBMR Labs Building Blocks:RBK_036635
10749836264
 (2S)-2-methyl-3-[4-(2-pyridyl)thiazol-2-yl]propanoic		-36.99247.299-31.68-19.56p=16.78, ap=-2.53
4
NA
10882547860
 (4R)-3-(o-tolylmethyl)-2-oxo-oxazolidine-4-carboxylic		-36.96234.231-28.52-20.35p=14.50, ap=-2.59
3
NA
10983363135
 (2R)-2-amino-4-oxo-4-(p-tolylmethylamino)butanoic		-36.96236.271-24.58-17.30p=6.68, ap=-1.77
5
NA
11037788993
 4-(2-methoxy-4-methyl-anilino)-4-oxo-butanoic		-36.94236.247-26.82-20.43p=11.93, ap=-1.63
5
UORSY BB Make-on-demand:BBV-32144235
Enamine BB Make on Demand:BBV-32144235
11141288312
 3-[(6-phenylpyridazin-3-yl)amino]propanoic		-36.93242.258-29.13-20.11p=14.43, ap=-2.12
5
NA
11262281319
 2-[3-[(2-fluorophenyl)methyl]triazol-4-yl]acetic		-36.92234.210-31.07-18.95p=15.82, ap=-2.73
4
NA
11374322097
 2-[methyl-[(1R)-1-(5-methyl-1H-benzimidazol-2-yl)ethyl]amino]acetic		-36.92247.298-26.80-16.49p=8.87, ap=-2.50
4
NA
11482550617
 (3R)-3-amino-4-(2-chloroanilino)-4-oxo-butanoic		-36.92242.662-23.31-18.15p=6.52, ap=-1.97
4
UORSY BB Make-on-demand:BBV-39239580
Enamine BB Make on Demand:BBV-39239580
11583330829
 (2R)-3-amino-2-(1,7-dimethylindol-2-yl)propanoic		-36.92232.283-25.05-16.75p=7.41, ap=-2.53
3
NA
11634279124
 (3S)-3-amino-4-(benzylamino)-4-oxo-butanoic		-36.90222.244-27.14-15.46p=7.64, ap=-1.93
5
UORSY BB Make-on-demand:BBV-39239562
Enamine BB Make on Demand:BBV-39239562
11783376926
 (2S)-2-amino-N-(1H-indol-3-ylmethyl)-3-methoxy-propanamide		-36.90247.298-20.52-20.08p=3.95, ap=-0.25
5
NA
11813151340
 2-[(3-chloro-2-methyl-phenyl)amino]-6-methyl-1H-pyrimidin-4-one		-36.89249.701-15.12-23.76p=4.50, ap=-2.51
2
Mcule:MCULE-6717325921
AKOS:AKOS000534888
11976626604
 (E)-3-(2-isopropyl-1H-benzimidazol-5-yl)but-2-enoic		-36.89243.286-31.75-21.78p=19.49, ap=-2.86
3
NA
12082344681
 (2S)-3-amino-2-(4,6-dimethyl-1H-indol-3-yl)propanoic		-36.89232.283-26.00-18.24p=9.31, ap=-1.96
3
NA
12196963009
 (2R)-2-amino-3-(5-methoxy-2-methyl-1H-indol-3-yl)propanoic		-36.89248.282-25.22-17.63p=7.50, ap=-1.54
4
NA
1224818614
 4-[3-(1-hydroxyethyl)phenyl]amino-4-oxo-butanoic		-36.88237.255-27.26-19.59p=11.39, ap=-1.41
5
NA
12360488463
 N-(indan-5-ylmethyl)-2-ureido-acetamide		-36.87247.298-17.57-20.74p=2.95, ap=-1.52
4
NA
12482307989
 4-[(2-cyano-1H-indol-4-yl)amino]butanoic		-36.87242.258-25.05-19.79p=10.33, ap=-2.36
5
NA
12582548332
 (3S)-3-amino-4-(2,4-dimethylanilino)-4-oxo-butanoic		-36.87236.271-25.20-17.31p=7.84, ap=-2.20
4
UORSY BB Make-on-demand:BBV-39452611
Enamine BB Make on Demand:BBV-39452611
12619844638
 2-(methyl-phenyl-amino)pyridine-4-carboxylic		-36.86227.243-34.23-18.02p=18.11, ap=-2.72
3
UORSY BB Make-on-demand:BBV-36638159
Enamine BB Make on Demand:BBV-36638159
12748942497
 N-[2-(ethoxymethyl)phenyl]-1H-triazole-4-carboxamide		-36.86246.270-25.01-19.16p=8.26, ap=-0.94
5
Enamine BB Make on Demand:BBV-42981351
12821986594
 2-Amino-3-(3-benzyl-3H-imidazol-4-yl)-propionic acid		-36.85245.282-21.85-18.17p=5.97, ap=-2.79
5
ChemMol:1202706
ChemMol:30105937
Bosche Scientific:A4366
APIChem:AC-17183
Bachem:E-2435
Chemik Building Blocks:CHH06002
American Custom Chemicals Corp.:AAA0004838
Ambinter:Amb8387799
12935122491
 4-(2-chloro-4-methyl-anilino)-4-oxo-butanoic		-36.85240.666-23.21-20.68p=8.93, ap=-1.89
4
UORSY BB Make-on-demand:BBV-25033440
Enamine BB Make on Demand:BBV-25033440
13082299371
 2-[2-(1H-indol-3-yl)acetyl]oxyacetic		-36.85232.215-26.57-18.45p=10.35, ap=-2.18
5
NA
13182612340
 2-[(2-methyl-1H-benzimidazol-5-yl)carbamoylamino]acetic		-36.84247.234-38.32-18.59p=21.31, ap=-1.23
3
NA
13274432832
 (3S,4S)-3-amino-4-hydroxy-4-(2-methoxy-5-methyl-phenyl)butanoic		-36.83239.271-25.80-16.36p=7.10, ap=-1.77
5
NA
13340230023
 4-(2,3-difluoroanilino)-4-oxo-butanoic		-36.82228.174-26.53-19.41p=10.66, ap=-1.55
4
UORSY BB Make-on-demand:BBV-32382324
Enamine BB Make on Demand:BBV-32382324
13471559584
 6-(2-methoxyanilino)pyrimidine-4-carboxylic		-36.80244.230-30.91-19.34p=15.52, ap=-2.08
4
NA
13557534976
 (3R)-3-amino-4-(2-naphthyloxy)butanoic		-36.79244.270-23.59-18.06p=7.62, ap=-2.77
5
NA
13677398885
3-[(2-cyclopropyl-1H-benzimidazol-5-yl)amino]propanoic		-36.79244.274-29.93-19.09p=14.10, ap=-1.87
5
NA
13777427471
 4-(2,3-dimethylanilino)-2,2-dimethyl-4-oxo-butanoic		-36.79248.302-33.61-17.62p=16.63, ap=-2.19
4
UORSY BB Make-on-demand:BBV-40363379
Enamine BB Make on Demand:BBV-40363379
13883327178
 (3R)-3-amino-3-(8-methyl-3-quinolyl)propanoic		-36.79230.267-25.12-16.01p=6.86, ap=-2.52
3
NA
13983376389
 (3R)-3-amino-4-[(2-cyanophenyl)methylamino]-4-oxo-butanoic		-36.79247.254-24.00-18.98p=8.47, ap=-2.28
5
NA
14019844727
 2-[(2-methoxyphenyl)amino]pyridine-4-carboxylic		-36.78243.242-33.91-18.93p=17.71, ap=-1.65
4
UORSY BB Make-on-demand:BBV-107099
Enamine BB Make on Demand:BBV-107099
14150806
 butanoic acid, 4-(2-naphthalenylamino)-4-oxo-		-36.76242.254-23.39-21.97p=10.69, ap=-2.08
4
Innovapharm BB Make on Demand:BBV-00035583
Aronis (Make on Request):RESYN/95976
ChemDiv:8005-8173
NCI Plated 2007:12418
Vitas-M:STK256924
ChemBridge:5122032
Scientific Exchange:POD_47/0999
Princeton BioMolecular Research:OSSK_684382
1425186399
 2-[(2-fluorophenyl)carbamoylamino]propanoic		-36.76225.199-32.43-19.33p=16.49, ap=-1.49
3
UORSY BB Make-on-demand:BBV-32809865
eMolecules:4602654
IBScreen:STOCK4S-52182
Molport:MolPort-002-613-518
Vitas-M:STK598222
UORSY BB Make-on-demand:BBV-32488872
AKOS:AKOS005519378
Enamine BB Make on Demand:BBV-32809865
14383364573
 (3R)-3-amino-4-[(4-aminophenyl)methylamino]-4-oxo-butanoic		-36.75236.251-24.28-18.90p=7.20, ap=-0.77
5
NA
14476164504
 (2R)-3-[1-(3-aminophenyl)imidazol-2-yl]-2-hydroxy-propanoic		-36.74246.246-26.28-19.00p=9.56, ap=-1.02
4
NA
14577416704
 (2R)-2-amino-3-(2-isopropyl-1H-benzimidazol-5-yl)propanoic		-36.74247.298-23.46-18.41p=7.05, ap=-1.92
4
NA
14613597335
 9-(4-amino-3-methyl-phenyl)purin-6-ol		-36.73241.254-19.90-20.55p=5.56, ap=-1.85
1
NCI Diversity 3:100120
14739113
 N-(3-Indolylacetyl)-L-alanine		-36.72245.258-24.53-22.00p=11.03, ap=-1.22
4
Florida Heterocyclic Compounds:36774
Sigma Aldrich (Building Blocks):345911
ALDRICH
Labotest:LT00452118
FineTech:FT-0629181
eMolecules:1971795
UORSY BB Make-on-demand:BBV-32447311
UORSY BB Make-on-demand:BBV-068070
Molport:MolPort-002-658-159
14872406645
 2-[(2-methoxyphenyl)amino]-5,6-dimethylpyrimidin-4(3H)-one		-36.72245.282-15.11-23.55p=3.76, ap=-1.82
3
Mcule:MCULE-6167352678
Innovapharm:STT-00397873
Innovapharm Building Blocks:BBS-00020667
TimTec Make-on-Demand:ST45274149
Molport:MolPort-023-274-107
eMolecules:43299483
Fluorochem:372567
ChemDiv BuildingBlocks:BB57-3263
14982331889
 2-[(2-chlorophenyl)methyl]-1H-pyrrole-3-carboxylic		-36.72234.662-22.02-22.28p=10.31, ap=-2.74
3
NA
15083107297
 (2R,3S)-2-(2-hydroxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic		-36.72235.239-26.11-20.74p=10.19, ap=-0.07
2
NA
15161984275
 (2R)-2-[[(3-cyanophenyl)-methyl-carbamoyl]amino]propanoic		-36.71246.246-28.63-18.76p=12.78, ap=-2.11
3
UORSY BB Make-on-demand:BBV-36802691
Enamine BB Make on Demand:BBV-36802691
15276630452
 (3R)-3-[(2-cyanophenyl)carbamoyl]pentanoic		-36.71245.258-34.52-16.17p=16.19, ap=-2.20
5
NA
15377362556
 4-(1H-indol-3-ylamino)-4-oxo-butanoic		-36.71231.231-42.46-12.28p=19.19, ap=-1.17
4
NA
15449474041
 6-(methoxymethyl)-N-phenyl-1,3,5-triazine-2,4-diamine		-36.70231.259-12.72-24.32p=2.86, ap=-2.53
4
Scientific Exchange Building Blocks:F-399599
Zylexa Pharma BB:ZP-BB-CD017016
Innovapharm BB Make on Demand:BBV-00075199
Ambinter:Amb20413828
ChemDiv BB Make-on-demand:BB52-7228
15583019038
 (2R,3R)-2-(6-methylpyridazin-3-yl)-5-oxo-pyrrolidine-3-carboxylic		-36.70221.216-33.06-18.51p=16.03, ap=-1.17
2
NA
15683363137
 (2R)-2-amino-4-(m-tolylmethylamino)-4-oxo-butanoic		-36.70236.271-23.96-17.69p=6.63, ap=-1.69
5
NA
15736222936
 2-(8-allyloxy-2-methyl-imidazo[1,2-a]pyridin-3-yl)acetic		-36.69246.266-30.59-20.57p=17.14, ap=-2.66
5
NA
15837794808
 4-[(2-methoxy-3-pyridyl)amino]-4-oxo-butanoic		-36.69223.208-26.97-20.56p=11.50, ap=-0.67
5
UORSY BB Make-on-demand:BBV-32147961
Enamine BB Make on Demand:BBV-32147961
15951966946
 (2S)-2-[3-(o-tolyl)propanoylamino]propanoic		-36.69234.275-29.80-19.40p=15.24, ap=-2.73
5
UORSY BB Make-on-demand:BBV-34240580
Enamine BB Make on Demand:BBV-34240580
16047455622
 methyl		-36.68249.270-15.25-25.84p=4.32, ap=0.09
5
NA
16149836134
 4-oxo-4-tetralin-6-yloxy-butanoic		-36.68247.270-21.36-22.16p=10.36, ap=-3.52
5
NA
16277395439
 (3S)-1-(1H-indol-3-yl)-5-oxo-pyrrolidine-3-carboxylic		-36.68243.242-34.72-17.98p=17.83, ap=-1.81
2
NA
16383365488
 (2R)-2-amino-4-[(3-hydroxyphenyl)methylamino]-4-oxo-butanoic		-36.68238.243-26.12-17.88p=7.35, ap=-0.03
5
NA
16482546857
 (3R)-3-amino-4-(2-cyanoanilino)-4-oxo-butanoic		-36.67233.227-26.09-15.77p=7.04, ap=-1.86
4
UORSY BB Make-on-demand:BBV-39452613
Enamine BB Make on Demand:BBV-39452613
16576170561
 (2S)-3-(1-ethylbenzimidazol-2-yl)-2-(methylamino)propanoic		-36.66247.298-24.04-16.73p=6.50, ap=-2.39
5
NA
16677398234
 (2S)-2-(5-methylisoxazol-3-yl)-3-(p-tolyl)propanoic		-36.61244.270-27.58-22.21p=16.45, ap=-3.27
4
NA
1675299844
 3-(1H-indol-3-yl)-1-(3-methoxypropyl)urea		-36.60247.298-17.23-22.33p=3.04, ap=-0.07
5
Life Chemicals:F2740-0072
Molport:MolPort-003-159-620
eMolecules:5607626
Mcule:MCULE-2909417102
Mcule Make-on-demand:MCULE-2909417102
16849474018
 6-Amino-2-[(2-methoxyphenyl)amino]pyrimidin-4(3H)-one		-36.60232.243-14.74-24.48p=4.42, ap=-1.80
3
Molport:MolPort-015-141-448
Matrix Scientific:066201
Innovapharm Building Blocks:BBS-00015419
Mcule:MCULE-9561938330
Innovapharm:STT-00398306
Molport BB:MolPort-015-141-448
Zylexa Pharma BB:ZP-BB-CD016974
Princeton BioMolecular BuildingBlocks:PBMR150708
1691558557
-36.59249.246-41.58-13.53p=19.54, ap=-1.02
5
ChemBridge:9074248
Enamine BB Make on Demand:BBV-25153080
Aronis:c03781
Scientific Exchange (make on demand):M-983634
Specs:AN-329/43385389
Aronis (Make on Request):RESYN/29207
eMolecules:2555597
UORSY BB Make-on-demand:BBV-25153080
17013113928
 2-[(4-dimethylaminophenyl)amino]-6-methyl-1H-pyrimidin-4-one		-36.59244.298-12.97-26.35p=4.77, ap=-2.04
3
ChemBridge:7940322
Innovapharm:STT-00234613
eMolecules:2040106
Otava:7016000803
Mcule Make-on-demand:MCULE-4928223651
Mcule:MCULE-4928223651
AKOS:AKOS002242833
17180336843
 N-[2-(dimethylamino)phenyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide		-36.59247.258-30.70-18.05p=11.88, ap=0.28
3
NA
17282549388
 (4R)-3-[(2-fluorophenyl)methyl]-2-oxo-oxazolidine-4-carboxylic		-36.59238.194-28.58-19.56p=14.06, ap=-2.51
3
NA
17382552301
 3-[5-(m-tolylmethyl)-1H-1,2,4-triazol-3-yl]propanoic		-36.58244.274-30.47-17.86p=14.61, ap=-2.86
5
NA
17437793343
(1R,2R)-2-[[2-(methoxymethyl)phenyl]carbamoyl]cyclopropanecarboxylic		-36.57248.258-33.29-16.04p=14.65, ap=-1.89
5
UORSY BB Make-on-demand:BBV-32147207
Enamine BB Make on Demand:BBV-32147207
17576164526
 (2R)-2-hydroxy-3-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)propanoic		-36.57246.246-25.03-19.70p=9.71, ap=-1.55
4
NA
17678233930
 (2S)-2-amino-3-(5-methyl-1,3-benzothiazol-2-yl)propanoic		-36.57236.296-23.54-17.44p=6.95, ap=-2.53
3
NA
17712651690
 5-[(4-hydroxy-6-oxo-3H-pyrimidin-2-ylidene)amino]-1H-pyrimidine-2,4-dione		-36.56237.175-31.18-22.72p=15.91, ap=1.42
2
NA
17871557163
 2-methyl-6-(N-methylanilino)pyrimidine-4-carboxylic		-36.56242.258-31.60-17.81p=15.78, ap=-2.92
3
NA
17982294108
 (1S,2R)-2-(2-fluorophenyl)-4-oxo-cyclopentanecarboxylic		-36.56222.215-25.19-17.57p=8.81, ap=-2.61
2
NA
18077045848
 3-(aminomethyl)-6-(2-pyridyl)pyridazine-4-carboxylic		-36.55230.227-28.11-14.24p=7.80, ap=-2.01
3
NA
18183103337
 (2S)-3-amino-2-(6-methoxy-1H-indol-3-yl)propanoic		-36.55234.255-24.22-18.98p=7.92, ap=-1.27
4
NA
18283107664
 (2S)-2-amino-3-(5-methoxy-1H-indazol-3-yl)propanoic		-36.55235.243-24.66-17.76p=7.05, ap=-1.19
4
NA
18383363136
 (3R)-3-amino-4-(m-tolylmethylamino)-4-oxo-butanoic		-36.55236.271-23.02-19.00p=7.92, ap=-2.45
5
UORSY BB Make-on-demand:BBV-39452942
Enamine BB Make on Demand:BBV-39452942
18483134190
 (2S)-3-amino-2-(5-chlorobenzofuran-3-yl)propanoic		-36.53238.650-23.60-18.28p=7.58, ap=-2.22
3
NA
18540533164
 (2R)-2-[(2-ethyl-6-methyl-phenyl)carbamoylamino]propanoic		-36.52249.290-26.98-18.61p=11.06, ap=-1.99
4
UORSY BB Make-on-demand:BBV-33207658
UORSY BB Make-on-demand:BBV-32532346
Enamine BB Make on Demand:BBV-32532346
Enamine BB Make on Demand:BBV-33207658
Otava (Virtual):10084643
18676161006
 (2R)-2-amino-3-(4-phenylthiazol-2-yl)propanoic		-36.52248.307-19.49-21.93p=7.39, ap=-2.50
4
NA
18782331341
 (2S)-3-amino-2-(2-methyl-1,3-benzothiazol-5-yl)propanoic		-36.52236.296-25.23-16.59p=7.39, ap=-2.09
3
NA
18883072822
 (2S)-3-amino-2-(3-pyrazol-1-ylphenyl)propanoic		-36.51231.255-25.56-16.03p=7.49, ap=-2.41
4
NA
18916902373
 5-[(2-chloro-3-pyridyl)amino]-5-oxo-pentanoic		-36.50241.654-26.31-18.66p=9.73, ap=-1.26
5
Innovapharm BB Make on Demand:BBV-00035683
UORSY BB Make-on-demand:BBV-25207637
Innovapharm Make-on-Demand:VT-00616714
Enamine BB Make on Demand:BBV-25207637
AKOS (make-on-demand):AKOS002682031
19035064391
 (2S)-N-[(2-aminophenyl)methyl]-N-ethyl-tetrahydrofuran-2-carboxamide		-36.50248.326-16.45-21.34p=2.49, ap=-1.19
4
UORSY BB Make-on-demand:BBV-22267322
19144787407
 5-[(4-Chlorophenyl)amino]-1H-1,2,3-triazole-4-carboxylic acid		-36.50237.626-21.27-23.53p=10.14, ap=-1.84
3
ChemMol:51502539
Synchem UG and Co KG:wh026
Debye Scientific Building Blocks:DB-082330
19283075858
 (3R)-3-amino-3-(2,4-dimethyl-1H-indol-3-yl)propanoic		-36.50232.283-29.61-14.19p=9.70, ap=-2.39
3
NA
1931058517
 {4-amino-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}acetonitrile		-36.49240.270-11.99-24.68p=3.46, ap=-3.29
3
Chemical Block:A3429/0145485
Innovapharm Make-on-Demand:VT-00230359
Vitas-M:STK234720
ChemBridge:7953815
Princeton BioMolecular Research:OSSK_734443
eMolecules:1833931
Innovapharm:STT-00206237
Scientific Exchange (make on demand):M-697205
19435384836
 2-[(2-phenylthiazol-4-yl)methylamino]acetic		-36.49248.307-25.20-18.80p=10.09, ap=-2.57
5
AKOS (make-on-demand):AKOS005829413
UORSY BB Make-on-demand:BBV-22274825
19537793925
 (1R,2R)-2-(1H-indazol-5-ylcarbamoyl)cyclopropanecarboxylic		-36.49244.230-30.41-18.55p=13.75, ap=-1.28
3
UORSY BB Make-on-demand:BBV-32147503
Enamine BB Make on Demand:BBV-32147503
19668779663
 2-acetamido-N-[(2-methoxyphenyl)methyl]acetamide		-36.49236.271-18.07-20.75p=3.89, ap=-1.55
5
Enamine-REAL:Z32737249
Otava (Virtual):4469839
19714630135
 N-[3-(4-Aminophenoxy)phenyl]acetamide		-36.48242.278-17.34-21.53p=3.95, ap=-1.56
3
Matrix Scientific:022449
ZereneX Building Blocks:ZXH002757
Ambinter:Amb3963599
19849835151
 5-Oxo-1-(2-m-tolyl-ethyl)-pyrrolidine-3-carboxylic acid		-36.48247.294-29.33-16.85p=12.50, ap=-2.81
4
UORSY BB Make-on-demand:BBV-34168356
Princeton BioMolecular BuildingBlocks:PBMR152879
Enamine BB Make on Demand:BBV-34168356
Molport BB:MolPort-008-768-517
ChemDiv BB Make-on-demand:BB10-8117
19985561216
 1-(2-cyanoethyl)-3-[6-(dimethylamino)-3-pyridyl]-1-methyl-urea		-36.48247.302-15.40-23.75p=4.54, ap=-1.87
4
NA
20048487859
 ethyl		-36.47237.259-15.44-25.75p=4.67, ap=0.05
4
Enamine BB Make on Demand:BBV-39269865
eMolecules:31875718
Mcule:MCULE-8308573854
UORSY BB Make-on-demand:BBV-39269865
Enamine-REAL:Z246834192
Enamine:Z246834192
Mcule Make-on-demand:MCULE-8308573854