Virtually screened ligands of FAS ligand

ZINC ID:
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Rank Zinc_Id Compound Delta_G Mol_wt ES Vdw Desolv RotBond Availability
139962616
 N,N-dimethyl-2-oxo-benzimidazole-5-sulfonamide		-52.28241.272-10.70-19.19p=-23.01, ap=0.62
2
Molport:MolPort-002-257-396
286864969
 GLYOXAL SODIUM BISULFITE		-41.61222.196-45.49-6.27p=7.80, ap=2.35
5
FineTech:FT-0626795
386864967
 GLYOXAL SODIUM BISULFITE		-38.50222.196-43.76-7.82p=10.37, ap=2.70
5
FineTech:FT-0626795
483134227
 (3R)-3-amino-3-(5-chlorobenzofuran-2-yl)propanoic		-38.39238.650-32.10-14.10p=9.02, ap=-1.20
3
NA
564029043
 (5S)-5-methyl-N-(1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-a]pyridine-2-carboxamide		-37.87243.250-23.33-15.81p=2.74, ap=-1.47
2
Molport:MolPort-009-181-351
683131094
 (3R)-3-amino-3-(6-hydroxy-1,3-benzothiazol-2-yl)propanoic		-37.41237.260-32.11-14.45p=8.88, ap=0.27
3
NA
744214878
 (3S,4R)-3,4-diaminohexanedioic		-37.34176.172-52.68-2.08p=16.71, ap=0.71
5
Innovapharm BB Make on Demand:BBV-00083689
886864968
 GLYOXAL SODIUM BISULFITE		-37.30222.196-40.94-6.08p=7.05, ap=2.67
5
FineTech:FT-0626795
98700672
 (2S,3S)-3-Amino-2-hydroxy-3-(naphthalen-2-yl)propanoic acid		-37.03231.251-35.22-9.87p=8.18, ap=-0.12
3
PepTech:TL820-1
Zylexa Pharma BB:ZP-BB-PT001626
Ark Pharm Building Blocks:AK119193
ChemMol:97602120
Chembo Pharma:KB-206684
AK Scientific:6600AC
1082548855
 (3R)-3-amino-3-(2-methoxy-4,6-dimethyl-phenyl)butanoic		-36.98237.299-29.57-12.19p=6.03, ap=-1.25
4
NA
1176991355
 2-[2-hydroxyethyl(methyl)amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide		-36.97243.307-34.63-12.29p=8.68, ap=1.28
5
NA
1283133264
 (3S)-3-amino-6-methoxy-thiochromane-3-carboxylic		-36.59238.288-30.36-13.46p=7.92, ap=-0.69
2
NA
1383130028
 (3S)-3-amino-6-ethyl-thiochromane-3-carboxylic		-36.48237.324-29.34-13.41p=7.86, ap=-1.59
2
NA
1482553980
 (3S)-3-amino-4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-butanoic		-36.38248.282-35.12-10.49p=10.02, ap=-0.79
3
UORSY BB Make-on-demand:BBV-39452639
Enamine BB Make on Demand:BBV-39452639
1533689811
 6,7-Dihydroxyswainsonine		-36.36206.218-43.34-4.30p=10.02, ap=1.26
0
Tractus:TRA0025130
1696895655
 (3R)-3-amino-3-(8-methoxy-2-quinolyl)propanoic		-36.35246.266-35.72-9.03p=8.73, ap=-0.33
4
NA
1783008990
 (3R)-3-amino-3-(2-methylbenzofuran-6-yl)propanoic		-36.25219.240-32.35-12.63p=9.72, ap=-0.99
3
NA
1822029086
 [1-(1H-indole-3-yl)-2-pyrrolidin-1-yl-ethyl]-methyl-amine		-36.23244.362-42.70-6.20p=13.70, ap=-1.03
4
BioSynth:Q-102926
ChemMol:44020230
Ark Pharm Building Blocks:AK-41131
Chembo Pharma:KB-63686
1983109461
 (3R)-3-amino-3-(6-methylbenzothiophen-2-yl)propanoic		-36.12234.300-30.25-12.83p=8.26, ap=-1.31
3
NA
2035570947
 (1R)-N-ethyl-3-methyl-1-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]butan-1-amine		-35.81248.390-43.50-3.39p=12.33, ap=-1.25
5
NA
2183111992
 (3R)-3-amino-6-methoxy-1-methyl-2,4-dihydroquinoline-3-carboxylic		-35.48236.271-31.64-11.64p=8.45, ap=-0.65
2
NA
2283008987
 (3R)-3-amino-3-(3-methylbenzofuran-6-yl)propanoic		-35.46219.240-31.89-12.13p=9.29, ap=-0.74
3
NA
2371430296
 2-(2-hydroxyethylamino)-1-[(2R)-2-methylindolin-5-yl]ethanone		-35.42234.299-29.59-9.75p=4.33, ap=-0.41
5
NA
2483100868
 (4R)-4-amino-4-(6-methylimidazo[1,2-a]pyridin-2-yl)butanoic		-35.42233.271-35.41-13.74p=15.03, ap=-1.30
4
NA
2582929547
 (3R)-3-amino-3-imidazo[1,2-a]pyridin-2-yl-propanoic		-35.40205.217-32.73-10.98p=9.24, ap=-0.93
3
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2682344868
 (4R)-4-(aminomethyl)-1,4,5,8-tetrahydropyrrolo[3,2-g]indazole-3-carboxylic		-35.34232.243-35.95-7.59p=8.71, ap=-0.51
2
NA
2713353968
 (2R,3R)-3-amino-2-hydroxy-pentanedioic		-35.25162.121-37.24-4.33p=5.16, ap=1.15
4
NA
2896963211
 (4R)-4-(aminomethyl)-7-methyl-4,5-dihydrofuro[2,3-g][1,2]benzoxazole-3-carboxylic		-35.22248.238-32.47-12.15p=10.31, ap=-0.91
2
NA
294247307
 N-(4,5-dicyano-1H-imidazol-2-yl)furan-2-carboxamide		-35.14227.183-35.92-13.62p=15.58, ap=-1.17
2
NA
3096896268
 (3R)-3-amino-3-(4-methoxy-1-methyl-indol-2-yl)propanoic		-35.03248.282-33.04-10.70p=9.22, ap=-0.51
4
NA
311548895
 3-ammonio-2,4-dihydro-1,5-benzodioxepine-3-carboxylate		-35.01209.201-32.40-11.92p=8.46, ap=0.85
1
NA
3282530079
 (3S)-3-amino-4-[[(1S)-1-methylpropyl]amino]-4-oxo-butanoic		-35.00188.227-39.46-4.19p=8.18, ap=0.46
5
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334523463
 Aspartyl-Alanine		-34.96203.174-40.30-5.66p=9.41, ap=1.58
5
UORSY BB Make-on-demand:BBV-39239785
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3483338845
 (3R)-3-amino-3-(4-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a][1,3]diazepin-2-yl)propanoic		-34.84239.279-33.64-7.95p=7.10, ap=-0.35
3
NA
3582961226
 (3R)-3-amino-4-(2-hydroxyethylamino)-4-oxo-butanoic		-34.83175.164-38.56-4.12p=6.54, ap=1.30
5
UORSY BB Make-on-demand:BBV-39239631
Enamine BB Make on Demand:BBV-39239631
3682529297
 (3R)-3-amino-4-oxo-4-(propylamino)butanoic		-34.77174.200-33.83-9.52p=8.10, ap=0.48
5
UORSY BB Make-on-demand:BBV-39239529
Enamine BB Make on Demand:BBV-39239529
3783132957
 (3R)-3-amino-3-(5-fluorobenzothiophen-2-yl)propanoic		-34.71239.271-29.02-13.59p=9.12, ap=-1.22
3
NA
3813353957
 (2S,3S)-3-amino-2-hydroxy-pentanedioic		-34.65162.121-32.79-5.76p=2.52, ap=1.38
4
NA
3983340242
 methyl		-34.62177.180-46.04-5.23p=15.48, ap=1.16
5
NA
4083327192
 (3R)-3-amino-3-(6-methyl-2-quinolyl)propanoic		-34.59230.267-30.17-11.00p=7.14, ap=-0.55
3
NA
4182961297
 (3R)-3-amino-4-[[(2S)-2-hydroxypropyl]amino]-4-oxo-butanoic		-34.57190.199-34.83-9.17p=8.37, ap=1.05
5
UORSY BB Make-on-demand:BBV-39239665
Enamine BB Make on Demand:BBV-39239665
4283009794
 (3R)-3-amino-3-(3-methylimidazo[1,2-a]pyridin-7-yl)propanoic		-34.54219.244-33.37-11.41p=10.89, ap=-0.65
3
NA
4382529239
 (3R)-4-(allylamino)-3-amino-4-oxo-butanoic		-34.45172.184-35.66-7.29p=7.89, ap=0.62
5
UORSY BB Make-on-demand:BBV-39239604
Enamine BB Make on Demand:BBV-39239604
4482530078
 (3S)-3-amino-4-[[(1R)-1-methylpropyl]amino]-4-oxo-butanoic		-34.45187.219-37.51-5.82p=8.40, ap=0.48
5
UORSY BB Make-on-demand:BBV-39239540
Enamine BB Make on Demand:BBV-39239540
4571700358
 (1S,2S)-2-(2-hydroxyethylamino)-1-indan-5-yl-propan-1-ol		-34.43235.327-30.21-9.45p=5.06, ap=0.17
5
NA
4624632618
 Atpa		-34.41228.248-30.40-6.89p=3.19, ap=-0.31
4
Sigma Aldrich (Building Blocks):A263
SIGMA
Tetrahedron Building Blocks:TS24501
Molport BB:MolPort-003-940-112
ChemMol:97900871
Active BioPharma:1828
LOPAC1280:A-263
Ambinter:Amb19930314
Tocris:2137
4777401794
 (3S)-3-amino-3-(1H-indol-3-yl)-4-methyl-pentanoic		-34.41246.310-28.38-11.55p=6.67, ap=-1.15
4
NA
4883014053
 (3R)-3-amino-3-(3-methyl-1,2-benzoxazol-6-yl)propanoic		-34.37220.228-33.63-11.29p=10.89, ap=-0.34
3
NA
4983104643
 (3R)-3-amino-1,6,8-trimethyl-2,4-dihydroquinoline-3-carboxylic		-34.34234.299-28.03-13.60p=8.59, ap=-1.30
1
NA
5096895661
 (3R)-3-amino-3-(6-methoxy-3-quinolyl)propanoic		-34.30246.266-31.56-12.80p=10.39, ap=-0.33
4
NA
5196881768
 (4R)-4-amino-7-ethyl-1-methyl-3,5-dihydro-2H-1-benzazepine-4-carboxylic		-34.28248.326-28.68-12.90p=8.82, ap=-1.52
2
NA
5277371027
 (3S)-3-amino-4-(4-isopropylphenyl)-3-methyl-butanoic		-34.26235.327-29.73-9.46p=6.11, ap=-1.19
5
NA
5382379079
 (2R)-2-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoic		-34.26206.205-29.00-11.84p=6.93, ap=-0.35
3
NA
5483069231
 (3R)-3-amino-6-chloro-chromane-3-carboxylic		-34.26227.647-29.78-12.28p=8.75, ap=-0.94
1
NA
5583075974
 (3R)-3-amino-3-(7-ethyl-1H-indol-3-yl)propanoic		-34.26232.283-31.60-11.01p=9.37, ap=-1.02
4
NA
5637809157
 (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propyl-propanamide		-34.22246.334-36.01-13.76p=16.50, ap=-0.95
5
UORSY BB Make-on-demand:BBV-32494172
UORSY BB Make-on-demand:BBV-32155939
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5774322300
 2-[[(1R)-1-(5-ethyl-1H-benzimidazol-2-yl)ethyl]-methyl-amino]ethanol		-34.22248.350-26.82-15.11p=8.45, ap=-0.75
5
NA
5882530077
 (3R)-3-amino-4-[[(1S)-1-methylpropyl]amino]-4-oxo-butanoic		-34.21187.219-32.79-6.44p=5.39, ap=-0.37
5
UORSY BB Make-on-demand:BBV-39239540
Enamine BB Make on Demand:BBV-39239540
594523461
 Aspartyl-Alanine		-34.18203.174-35.79-5.18p=5.38, ap=1.41
5
UORSY BB Make-on-demand:BBV-39239785
Enamine BB Make on Demand:BBV-39239785
6077327829
 (3R)-3-amino-3-(1H-benzimidazol-5-yl)butanoic		-34.18219.244-30.80-11.47p=8.89, ap=-0.81
3
NA
6183037488
 (2S)-2-amino-2-(6-methyl-1,3-benzothiazol-2-yl)acetic		-34.12222.269-30.08-14.24p=10.94, ap=-0.73
2
NA
6282529299
 (3R)-3-amino-4-(isopropylamino)-4-oxo-butanoic		-34.09174.200-34.34-6.85p=6.96, ap=0.14
4
UORSY BB Make-on-demand:BBV-39239536
Enamine BB Make on Demand:BBV-39239536
6383322696
 (3R)-3-amino-3-(4-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic		-34.08224.244-33.23-8.33p=7.76, ap=-0.28
3
NA
6483047694
 (3R)-3-amino-3-(2-methylimidazo[2,1-b]thiazol-6-yl)propanoic		-34.02225.273-31.04-11.28p=9.10, ap=-0.80
3
NA
6583050689
 (3S)-3-amino-6-fluoro-thiochromane-3-carboxylic		-34.01226.252-31.10-10.75p=8.82, ap=-0.98
1
NA
6675809622
 (4R)-4-(aminomethyl)-7-methyl-1,4,5,8-tetrahydroimidazo[4,5-g]indazole-3-carboxylic		-34.00248.266-35.47-8.54p=10.20, ap=-0.19
2
NA
6783104311
 (3R)-3-amino-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propanoic		-33.99234.299-30.61-10.60p=7.95, ap=-0.73
3
NA
6883262841
 tert-butyl-[(3S,6S)-6-(hydroxymethyl)-3-piperidyl]carbamic		-33.96229.300-29.08-9.20p=4.53, ap=-0.22
3
American Custom Chemicals Corp.:CHM0293546
6983014849
 (3R)-3-amino-3-(1-methylbenzotriazol-5-yl)propanoic		-33.94220.232-34.03-11.47p=11.34, ap=0.23
3
NA
7083100900
 (3R)-3-amino-3-(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)propanoic		-33.92233.271-31.32-12.21p=10.25, ap=-0.64
3
NA
7182950619
 (3R)-3-amino-3-(3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-8-yl)propanoic		-33.89209.225-34.28-8.17p=8.62, ap=-0.06
3
NA
7283333691
 (2R)-2-amino-3-(6-fluoro-2-quinolyl)propanoic		-33.88234.230-27.10-11.72p=6.44, ap=-1.49
3
NA
7382530082
 (3R)-3-amino-4-(tert-butylamino)-4-oxo-butanoic		-33.86188.227-31.56-10.18p=7.61, ap=0.27
4
UORSY BB Make-on-demand:BBV-39239534
Enamine BB Make on Demand:BBV-39239534
7496894219
 2-(p-tolyl)-5-[[(2S)-pyrrolidin-2-yl]methyl]oxazole		-33.86243.330-27.03-19.52p=14.53, ap=-1.84
3
NA
752560921
 [(1S)-2-[[(1S)-2-[[(1S)-2-amino-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-m		-33.83231.276-48.58-7.12p=18.76, ap=3.11
5
Bachem:H-1255
7682929459
 (3R)-3-amino-3-imidazo[1,2-a]pyridin-7-yl-propanoic		-33.82205.217-32.48-11.25p=10.42, ap=-0.51
3
NA
7782953107
 (3R)-3-amino-3-(1H-thieno[2,3-c]pyrazol-3-yl)propanoic		-33.81211.246-30.56-9.33p=6.55, ap=-0.46
3
NA
7882530081
 (3S)-3-amino-4-(diethylamino)-4-oxo-butanoic		-33.80188.227-34.83-6.32p=7.50, ap=-0.16
5
UORSY BB Make-on-demand:BBV-39239533
Enamine BB Make on Demand:BBV-39239533
7977331935
 (3R)-3-amino-3-(2,3-dihydrobenzofuran-5-yl)butanoic		-33.77221.256-31.10-11.30p=9.41, ap=-0.79
3
NA
8082961298
 (3R)-3-amino-4-[[(2R)-2-hydroxypropyl]amino]-4-oxo-butanoic		-33.77190.199-38.44-4.93p=7.80, ap=1.80
5
UORSY BB Make-on-demand:BBV-39239665
Enamine BB Make on Demand:BBV-39239665
8183128578
 (3R)-3-amino-6-ethoxy-chromane-3-carboxylic		-33.75237.255-30.62-11.72p=9.35, ap=-0.76
3
NA
8239058349
 L-Aspartic acid, 3-methoxy-, (3S)- (9CI)		-33.74162.121-38.60-6.68p=10.93, ap=0.60
4
Chemstep:25438
8339135591
 (3R)-3-amino-4-(ethylamino)-4-oxo-butanoic		-33.74160.173-34.30-8.47p=8.17, ap=0.87
4
UORSY BB Make-on-demand:BBV-39192918
Enamine BB Make on Demand:BBV-39192918
841605645
 [(1R)-1-[(2-amino-2-keto-ethyl)carbamoyl]-2-methyl-propyl]ammonium		-33.73174.224-42.36-6.61p=13.17, ap=2.07
4
UORSY BB Make-on-demand:BBV-066342
Enamine BB Make on Demand:BBV-40144878
Enamine BB Make on Demand:BBV-066342
UORSY BB Make-on-demand:BBV-40144878
8596877478
 (3S)-3-amino-6-fluoro-8-methyl-thiochromane-3-carboxylic		-33.73241.287-29.72-11.80p=8.83, ap=-1.03
1
NA
861731777
 Aspartyl-Glycine		-33.72189.147-35.40-4.43p=4.45, ap=1.66
5
UORSY BB Make-on-demand:BBV-39239777
Tractus:TRA0056779
Enamine BB Make on Demand:BBV-39239777
8777365777
 (3R)-3-amino-3-(2-methyl-1H-benzimidazol-5-yl)butanoic		-33.72233.271-30.01-11.57p=8.46, ap=-0.61
3
NA
8883321930
 (3R)-3-amino-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-yl)propanoic		-33.72224.264-33.27-7.76p=7.53, ap=-0.22
3
NA
8996963158
 (4R)-4-(aminomethyl)-7-methyl-5,6-dihydro-4H-imidazo[4,5-g][1,2]benzoxazole-3-carboxylic		-33.71249.250-30.70-11.24p=8.46, ap=-0.22
2
NA
9043764019
 (1R,2R)-2-(isopropylamino)-1-phenyl-cyclohexanol		-33.70234.363-29.37-11.60p=8.29, ap=-1.02
3
NA
9182530076
 (3R)-3-amino-4-[[(1R)-1-methylpropyl]amino]-4-oxo-butanoic		-33.70187.219-34.93-5.69p=7.01, ap=-0.09
5
UORSY BB Make-on-demand:BBV-39239540
Enamine BB Make on Demand:BBV-39239540
9283009951
 (3S)-3-amino-3-(3-methyl-1H-indazol-4-yl)propanoic		-33.70219.244-32.00-12.43p=10.93, ap=-0.20
3
NA
9316431312
 N-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-3-carboxamide		-33.67232.199-20.05-16.05p=3.01, ap=-0.58
2
Vitas-M:STK049946
eMolecules:9909894
Molport:MolPort-002-936-733
Ambinter:Amb1794446
Mcule Make-on-demand:MCULE-2848346450
Mcule:MCULE-2848346450
Enamine BB Make on Demand:BBV-43215884
AKOS:AKOS003258914
9482929236
 (3R)-3-amino-3-(benzofuran-6-yl)propanoic		-33.61205.213-31.34-10.95p=9.26, ap=-0.58
3
NA
9596983827
 (5R)-5-amino-3-(1,2,4-triazin-6-yl)-4,6-dihydro-1H-cyclopenta[c]pyrazole-5-carboxylic		-33.61246.230-28.50-16.61p=11.76, ap=-0.27
2
NA
9676690471
 (4R)-4-(aminomethyl)-8-methyl-4,5-dihydro-1H-pyrrolo[3,2-g]indazole-3-carboxylic		-33.59246.270-31.72-8.49p=7.19, ap=-0.56
2
NA
9735498027
 (1S)-1-(5-chloro-2-thienyl)-N-methyl-propan-1-amine		-33.54190.719-39.11-2.73p=9.31, ap=-1.01
3
UORSY BB Make-on-demand:BBV-36629118
Enamine BB Make on Demand:BBV-36629118
9883111995
 (3R)-3-amino-8-methoxy-1-methyl-2,4-dihydroquinoline-3-carboxylic		-33.54236.271-29.38-11.07p=7.63, ap=-0.73
2
NA
9983010289
 (3R)-3-amino-3-(2-methyl-1H-benzimidazol-4-yl)propanoic		-33.52220.252-36.06-7.87p=10.45, ap=-0.05
3
NA
10082378242
 (3R)-3-amino-3-(2,3-dihydrobenzofuran-6-yl)propanoic		-33.49207.229-31.59-10.66p=9.11, ap=-0.35
3
NA
10183009721
 (2R)-2-amino-3-(8-methylimidazo[1,2-a]pyridin-2-yl)propanoic		-33.48218.236-24.35-12.64p=5.27, ap=-1.76
3
NA
10292730025
 (2R)-2-(1H-imidazol-2-yl)-1-(1H-pyrazol-3-ylmethyl)piperidine		-33.48232.311-27.63-13.30p=8.66, ap=-1.21
3
Enamine-REAL:Z1567466707
10338761467
 Acetamide, 2-amino-N-1H-benzimidazol-2-yl- (9CI)		-33.47190.206-28.89-9.89p=6.01, ap=-0.69
1
Chemstep:10686
UORSY BB Make-on-demand:BBV-37616794
Enamine BB Make on Demand:BBV-37616794
Chembo Pharma:KB-301561
Otava (Virtual):5638636
10442375865
 2-[(R)-2-methoxyethylsulfinyl]-3H-benzimidazol-5-amine		-33.46239.300-24.41-12.77p=3.06, ap=0.66
4
Enamine BB Make on Demand:BBV-32796078
Enamine BB Make on Demand:BBV-32857172
10582299631
(2S,3R)-2,3-diamino-4-(1H-indol-2-yl)butanoic		-33.46234.279-34.91-8.33p=8.99, ap=0.79
4
NA
10631554464
 2H-1,2,4-Benzothiadiazine-3-methanamine, 1,1-dioxide; 3-Aminometil-1,2,4-benzotiadiazina-1,1-diossido [Italian]; LS-40427		-33.45211.246-39.89-6.94p=13.56, ap=-0.18
1
Asinex:ART20441271
Ambinter:Amb13902404
10776680596
 (2R,3S)-2-amino-3-hydroxy-3-(6-methyl-1H-indol-2-yl)propanoic		-33.45234.255-32.44-8.29p=6.67, ap=0.61
3
NA
10882933797
 (3R)-3-amino-6-methyl-chromane-3-carboxylic		-33.43207.229-28.98-11.81p=8.32, ap=-0.96
1
NA
10983035755
 (3S)-3-amino-3-(6-fluoro-1H-indol-2-yl)propanoic		-33.42222.219-30.33-12.70p=10.10, ap=-0.49
3
NA
11096983754
 hydroxy(methyl)BLAHcarboxylic		-33.42246.266-27.90-13.37p=8.47, ap=-0.62
1
NA
11183330482
 (2R)-2-amino-3-(7-hydroxy-2-quinolyl)propanoic		-33.40231.231-27.46-11.08p=5.99, ap=-0.84
3
NA
11283044840
 (3R)-3-amino-6-fluoro-1-methyl-2,4-dihydroquinoline-3-carboxylic		-33.39224.235-30.43-10.98p=8.92, ap=-0.91
1
NA
11383322692
 (3R)-3-amino-3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propanoic		-33.39226.260-34.10-7.79p=8.12, ap=0.38
3
NA
11476171149
 (2S)-3-(6-amino-1,3-benzoxazol-2-yl)-2-(methylamino)propanoic		-33.37235.243-25.46-16.01p=7.78, ap=0.32
4
NA
11582529240
 (3S)-4-(allylamino)-3-amino-4-oxo-butanoic		-33.37172.184-35.32-5.98p=7.41, ap=0.50
5
UORSY BB Make-on-demand:BBV-39239604
Enamine BB Make on Demand:BBV-39239604
11696895657
 (3R)-3-amino-3-(7-methoxy-2-quinolyl)propanoic		-33.36246.266-34.53-7.40p=8.79, ap=-0.22
4
NA
11783037398
 (3R)-3-amino-3-(1,3-benzothiazol-5-yl)propanoic		-33.35222.269-31.21-12.28p=10.40, ap=-0.27
3
NA
11838611823
 Disodium iminodimethanesulphinate		-33.33172.207-35.17-4.35p=5.25, ap=0.95
4
BioSynth:W-110578
11982911998
 (3R)-3-amino-3-(3,5-dimethyl-2-thienyl)propanoic		-33.32199.275-30.19-10.21p=7.89, ap=-0.81
3
NA
12079420533
 (S)-2-Amino-N-(4-cyano-benzyl)-N-ethyl-propionamide		-33.27232.307-35.05-13.48p=16.15, ap=-0.89
4
Apexmol Building Blocks:AM95330
Fluorochem:086005
Oakwood Chemical:086005
Chembo Pharma:KB-04527
Ambinter:Amb22226179
12195761705
 (2S)-2-amino-7-methoxy-tetralin-2-carboxylic		-33.26221.256-28.25-13.58p=9.36, ap=-0.79
2
Synblock:AB69751
12277398714
 (3R)-3-amino-3-(2-cyclopropyl-1H-benzimidazol-5-yl)propanoic		-33.24245.282-31.16-11.05p=9.60, ap=-0.62
4
NA
12377416738
 (3S)-3-amino-3-(1H-benzimidazol-5-yl)-4-methyl-pentanoic		-33.24247.298-30.16-11.67p=9.50, ap=-0.90
4
NA
12419873894
 (1R)-1-[2-fluoro-6-(2H-1,2,4-triazol-3-ylsulfanyl)phenyl]ethanamine		-33.23238.291-28.66-15.73p=12.20, ap=-1.05
3
UORSY BB Make-on-demand:BBV-115814
UORSY BB Make-on-demand:BBV-37225102
Enamine BB Make on Demand:BBV-37225102
Enamine BB Make on Demand:BBV-115814
12583336155
 (3R)-3-amino-3-(6-fluoro-1-methyl-indol-3-yl)propanoic		-33.23235.238-30.98-10.83p=9.64, ap=-1.06
3
NA
1266725325
-33.22244.254-18.53-18.40p=4.52, ap=-0.81
3
ChemBridge:9045815 Princeton BioMolecular Research:OSSL_234031 Vitas-M:STK479347 TimTec:ST50835061 AKOS:AKOS003350423 Molport:MolPort-002-106-817 eMolecules:2289583 Zelinsky Institute:UZI/1081801
12782530083
 (3S)-3-amino-4-(tert-butylamino)-4-oxo-butanoic		-33.22187.219-36.93-4.84p=7.90, ap=0.66
4
UORSY BB Make-on-demand:BBV-39239534
Enamine BB Make on Demand:BBV-39239534
12839079849
 1,2-Ethanediol, 1,2-bis(dimethylamino)- (9CI)		-33.20148.206-34.37-1.31p=3.02, ap=-0.55
3
Chemstep:41594
12983035745
 (3S)-3-amino-3-(7-fluoro-1H-indol-2-yl)propanoic		-33.20222.219-32.87-10.42p=10.42, ap=-0.33
3
NA
13096877475
 (4R)-4-amino-7-fluoro-3,5-dihydro-2H-1-benzothiepine-4-carboxylic		-33.20241.287-28.54-11.86p=8.30, ap=-1.10
1
NA
13174322301
 2-[[(1S)-1-(5-ethyl-1H-benzimidazol-2-yl)ethyl]-methyl-amino]ethanol		-33.18248.350-27.30-12.39p=7.19, ap=-0.68
5
NA
13296171758
 3,3,3-trifluoro-2,2-dihydroxy-N-phenyl-propanamide		-33.17235.161-21.15-15.31p=3.28, ap=0.02
3
MolMall (formerly Molecular Diversity Preservation International):101482
13383333685
 (2S)-2-amino-3-(7-fluoro-2-quinolyl)propanoic		-33.15234.230-30.50-14.13p=12.42, ap=-0.94
3
NA
13482929574
 (3R)-3-amino-3-(1H-benzimidazol-5-yl)propanoic		-33.12205.217-30.87-11.89p=10.38, ap=-0.75
3
NA
13577341847
 (3S)-3-amino-4-(4-chlorophenyl)-3-methyl-butanoic		-33.10227.691-28.20-10.62p=6.75, ap=-1.03
4
NA
13640973607
 (1S,5R)-1-oxo-N-propyl-2,3,4,5-tetrahydrobenzo[b]thiepin-5-amine		-33.09238.376-26.33-12.50p=7.12, ap=-1.38
3
UORSY BB Make-on-demand:BBV-32632684
Enamine BB Make on Demand:BBV-32632684
13783072770
 (3S)-3-(7-hydroxy-1H-indol-2-yl)piperazin-2-one		-33.09231.255-33.68-12.33p=12.41, ap=0.51
1
NA
13883341505
 (2R)-2-amino-4-[[(2R)-2-hydroxypropyl]amino]-4-oxo-butanoic		-33.07190.199-36.66-8.21p=9.72, ap=2.08
5
NA
13982929535
 (2R)-3-amino-2-(1H-benzimidazol-2-yl)propanoic		-33.04205.217-33.28-8.11p=8.56, ap=-0.21
3
NA
14096877479
 (3S)-3-amino-6-fluoro-7-methyl-thiochromane-3-carboxylic		-33.04241.287-28.82-11.31p=8.43, ap=-1.34
1
NA
14196877598
 (5S)-5-amino-8-chloro-3,4-dihydro-2H-1-benzoxepine-5-carboxylic		-33.04241.674-27.25-12.42p=7.76, ap=-1.13
1
NA
14282890766
 2-[(1R)-1-amino-2-hydroxy-ethyl]-1H-indol-7-ol		-33.03193.226-33.65-12.75p=12.11, ap=1.27
2
NA
14396987932
 3-[1-[(2S)-2-aminopropyl]-4,4-dimethyl-cyclohexyl]propanoic		-33.02241.375-33.85-7.92p=9.66, ap=-0.91
5
NA
14483019532
 (3R)-3-amino-3-[(2S)-2-methyl-2,3-dihydrobenzofuran-6-yl]propanoic		-33.01221.256-30.58-10.78p=8.79, ap=-0.44
3
NA
14582329102
 (2S)-2-amino-3-(6-chloro-1H-indol-2-yl)propanoic		-32.99238.674-25.16-12.94p=6.10, ap=-0.99
3
NA
14696879995
 (3R)-3-amino-8-chloro-6-fluoro-chromane-3-carboxylic		-32.99245.637-29.69-11.70p=9.23, ap=-0.82
1
NA
14782529298
 (3S)-3-amino-4-oxo-4-(propylamino)butanoic		-32.98173.192-36.11-6.36p=8.67, ap=0.81
5
UORSY BB Make-on-demand:BBV-39239529
Enamine BB Make on Demand:BBV-39239529
14883103483
 (3R)-3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoic		-32.98234.255-34.35-10.99p=12.34, ap=0.02
3
NA
14983113211
 (3R)-3-amino-3-(6-methoxy-1H-indol-2-yl)propanoic		-32.97233.247-32.78-10.55p=10.44, ap=-0.08
4
NA
15083014148
 (3S)-3-amino-3-(6-hydroxy-1H-indol-2-yl)propanoic		-32.93220.228-29.78-13.73p=9.88, ap=0.71
3
NA
15172465443
 N-ethyl-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide		-32.92230.271-23.03-16.57p=8.64, ap=-1.95
1
Innovapharm Make-on-Demand:VT-00673260
15283289792
 (3R)-3-amino-3-(3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)propanoic		-32.92209.225-32.26-9.28p=8.60, ap=0.02
3
NA
15383107054
 (3R)-3-amino-3-(7-methoxybenzofuran-3-yl)propanoic		-32.91235.239-31.96-10.47p=10.00, ap=-0.48
4
NA
15438202299
 H-ala-val-nh2 hcl		-32.88187.243-42.24-9.32p=16.17, ap=2.51
4
Tetrahedron Building Blocks:TS23748
Bachem:G-4055
15582379134
 (2R)-2-amino-2-(7-hydroxy-1H-indol-2-yl)acetic		-32.88206.201-31.88-7.83p=5.60, ap=1.24
2
NA
15683368536
 (3S)-3-amino-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)propanoic		-32.88240.328-32.70-7.86p=8.04, ap=-0.36
3
NA
1573160824
 BLAH		-32.87218.136-31.93-15.36p=15.24, ap=-0.82
0
Asinex:BAS01008964
Molport:MolPort-001-903-222
Ambinter:Amb17941150
TimTec:ST51169265
AKOS:AKOS000678737
15883337745
 (3R)-3-amino-3-(1-methyl-2,3,4,5-tetrahydropyrrolo[1,2-a][1,3]diazepin-8-yl)propanoic		-32.86236.295-31.46-8.76p=8.11, ap=-0.75
3
NA
15982929440
 (2R)-2-amino-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetic		-32.85205.217-30.07-10.63p=8.77, ap=-0.92
2
NA
16082952875
(3R)-3-amino-6-fluoro-chromane-3-carboxylic		-32.85211.192-30.64-10.96p=9.43, ap=-0.68
1
NA
16182953132
 (3R)-3-amino-3-imidazo[2,1-b]thiazol-6-yl-propanoic		-32.85210.238-30.60-11.11p=9.47, ap=-0.61
3
NA
16283103282
 (3R)-3-amino-3-(1-methyl-2-oxo-indolin-4-yl)propanoic		-32.84234.255-33.82-9.53p=10.82, ap=-0.31
3
NA
16383322695
 (3S)-3-amino-3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic		-32.84226.260-31.41-10.42p=8.83, ap=0.15
3
NA
16434242099
 (3R)-3-amino-4-isopropoxy-4-oxo-butanoic		-32.83174.176-33.82-7.02p=8.30, ap=-0.29
5
NA
16564219288
 (3S,5R)-3,5-diamino-4-oxo-hexanoic		-32.83161.181-37.11-5.50p=8.83, ap=0.95
4
NA
16683288881
 (3S)-3-amino-3-(1-methyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl)propanoic		-32.83209.249-31.58-8.67p=8.11, ap=-0.70
3
NA
16735498380
 (1S)-1-(5-chloro-2-thienyl)-N-methyl-1-[(2R)-tetrahydrofuran-2-yl]methanamine		-32.82232.756-36.50-6.40p=11.53, ap=-1.46
3
UORSY BB Make-on-demand:BBV-24891878
Enamine BB Make on Demand:BBV-24891878
16882378168
 (5R)-9-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepine-5-carboxylic		-32.81206.221-30.55-9.02p=6.31, ap=0.45
1
NA
16920307008
 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetamide		-32.77239.256-24.99-12.50p=4.59, ap=0.13
3
UORSY BB Make-on-demand:BBV-204112
Enamine BB Make on Demand:BBV-204112
17082342505
 (4R)-4-(aminomethyl)-4,5-dihydrofuro[2,3-g][1,2]benzoxazole-3-carboxylic		-32.77234.211-34.04-9.34p=10.86, ap=-0.26
2
NA
17183103332
 (3S)-3-amino-3-(4-methoxy-1H-indol-2-yl)propanoic		-32.76234.255-31.70-10.75p=9.98, ap=-0.30
4
NA
17283111670
 (3R)-3-amino-3-(4-fluoro-2-methyl-1H-indol-5-yl)propanoic		-32.75235.238-26.64-13.99p=9.16, ap=-1.28
3
NA
17396880829
 (3S)-3-amino-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)propanoic		-32.74247.294-28.83-8.70p=5.84, ap=-1.06
3
NA
17482953108
 (3S)-3-amino-3-(1H-thieno[2,3-c]pyrazol-3-yl)propanoic		-32.72211.246-33.25-7.95p=8.23, ap=0.25
3
NA
17583321932
 (3R)-3-amino-3-(8-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl)propanoic		-32.72225.272-31.51-8.30p=7.52, ap=-0.43
3
NA
1761575556
 Dl-alanyl-dl-asparagine		-32.71203.198-47.34-4.78p=17.63, ap=1.78
5
Vitas-M:STK019901
UORSY BB Make-on-demand:BBV-32473717
Innovapharm:STT-00246176
Aldrich CPR:S583669
ALDRICH
TimTec:ST50754466
Indofine:04-181
Princeton BioMolecular Research:OSSK_324634
UORSY BB Make-on-demand:BBV-33209719
17735498029
 (1R)-1-(5-chloro-2-thienyl)-N-methyl-propan-1-amine		-32.71190.719-31.43-7.41p=7.09, ap=-0.96
3
UORSY BB Make-on-demand:BBV-36629118
Enamine BB Make on Demand:BBV-36629118
1785117487
 3-(1H-benzimidazol-2-yl)alanine hydrochloride		-32.70205.217-28.39-8.80p=5.08, ap=-0.59
3
Scientific Exchange (make on demand):F-406219
Innovapharm BB Make on Demand:BBV-00033322
ChemBridge BuildingBlocks:4032230
Matrix Scientific:060227
TimTec Make-on-Demand:ST45257005
Zylexa Pharma BB:ZP-BB-CD018519
Fluorochem:311511
AKOS:AKOS002677103
17961842403
 1-[5-(aminomethyl)imidazo[2,1-b]thiazol-6-yl]-1,2,4-triazole-3-carbonitrile		-32.70245.271-34.08-14.66p=16.95, ap=-0.91
2
UORSY BB Make-on-demand:BBV-36744530
Enamine BB Make on Demand:BBV-36744530
18083112159
 (3R)-3-amino-3-(2,3,7-trimethylimidazo[1,2-a]imidazol-6-yl)propanoic		-32.70236.275-35.12-6.30p=9.20, ap=-0.48
3
NA
18177365780
 (3R)-3-amino-3-(1-methylbenzimidazol-5-yl)butanoic		-32.69233.271-29.80-10.32p=8.13, ap=-0.71
3
NA
18233852720
 10H-Pyrido(3,2-b)pyrimido(4,5-e)(1,4)thiazine-2,4-diamine, 8-methyl-; 2,4-Diamino-8-methyl-1,3,9-triazaphenothiazine; 8-Methyl-10H-pyrido(3,2-b)pyrimido(4,5-e)(1,4)thiazine-2,4-diamine; BRN 0544876; LS-134209		-32.68247.307-26.62-15.54p=10.41, ap=-0.93
0
NA
1839059532
 2-(1H-benzoimidazol-2-yl)-4,5-dimethyl-pyrazol-3-ol		-32.67228.255-20.20-14.67p=3.74, ap=-1.54
1
ChemBridge:9104981
eMolecules:4754323
Scientific Exchange (make on demand):F-113301
Vitas-M:STK241726
Innovapharm:STT-00273585
Innovapharm Make-on-Demand:VT-00489137
Enamine BB Make on Demand:BBV-41199581
TimTec Make-on-Demand:ST50762740
18482553979
 (3R)-3-amino-4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-butanoic		-32.67248.282-33.75-6.92p=7.89, ap=0.11
3
UORSY BB Make-on-demand:BBV-39452639
Enamine BB Make on Demand:BBV-39452639
18582931736
 (3R)-3-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoic		-32.67205.197-33.79-9.20p=9.83, ap=0.49
3
NA
18619864371
 2-[(2S)-2-hydroxy-3-methylamino-propyl]-[1,2,4]triazolo[4,5-a]pyridin-3-one		-32.65223.256-35.30-12.24p=15.19, ap=-0.30
4
UORSY BB Make-on-demand:BBV-111343
Enamine BB Make on Demand:BBV-111343
18721989641
 (2R,4R)-2,4-dicyano-3-(trifluoromethyl)pentanediamide		-32.65248.164-29.67-9.56p=4.89, ap=1.68
5
NA
1882561024
 [2-[[2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl]amino]-2-keto-ethyl]ammonium		-32.64189.195-46.66-8.38p=19.75, ap=2.65
5
UORSY BB Make-on-demand:BBV-29446873
Bachem:H-3355
Enamine BB Make on Demand:BBV-29446873
18919819812
 4-Hydroxy-2-imino-2,10-dihydro-1,3,4a,10-tetraaza-phenanthren-9-one		-32.62229.199-25.23-16.06p=9.28, ap=-0.62
0
Scientific Exchange (make on demand):F-313990
ZereneX Building Blocks:E/1210058
PBMR Labs Building Blocks:RBK_049715
AKOS:AKOS005152037
19076087980
 N-[3-[(1R)-1-methylbutyl]-1H-pyrazol-5-yl]-1H-pyrazole-3-carboxamide		-32.62247.302-20.48-14.16p=2.74, ap=-0.72
5
Enamine:Z1283490514
eMolecules:43393418
Molport:MolPort-023-172-454
Mcule Make-on-demand:MCULE-4765697531
Mcule:MCULE-4765697531
19183043009
 (4R)-4-amino-3,5-dihydro-2H-1-benzothiepine-4-carboxylic		-32.62223.297-28.64-12.00p=9.14, ap=-1.12
1
NA
19283359710
 (2S)-2-amino-N-(2-hydroxyethyl)-2-(1H-indol-6-yl)acetamide		-32.61233.271-34.56-13.99p=14.60, ap=1.33
4
NA
19382929428
 (2R)-2-amino-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetic		-32.60205.217-31.70-8.75p=8.78, ap=-0.93
2
NA
19483014143
 (3R)-3-amino-3-(7-hydroxy-1H-indol-2-yl)propanoic		-32.60220.228-33.79-10.46p=10.42, ap=1.22
3
NA
19556963191
 D-Aspartic acid ??-tert.butyl esterhydrochloride		-32.59189.211-32.40-7.99p=8.28, ap=-0.48
5
Bachem:F-3855
Apexmol Building Blocks:AM81596
Ambinter:Amb19944280
Chembo Pharma:KB-49594
Tractus:TRA0026425
19683100754
 (4R)-4-amino-4-(5-methylbenzofuran-2-yl)butanoic		-32.57233.267-38.65-9.07p=15.94, ap=-0.78
4
NA
1974089298
 5-oxo-3-phenyl-2,5-dihydro-1H-pyrazole-1-carboximidamide		-32.56203.225-25.40-14.35p=8.86, ap=-1.68
2
KeyOrganics:1X-0220
Mcule:MCULE-6244941181
Molport:MolPort-002-860-974
Mcule Make-on-demand:MCULE-6244941181
19896881776
 (4R)-4-amino-1,7,9-trimethyl-3,5-dihydro-2H-1-benzazepine-4-carboxylic		-32.56248.326-29.09-11.03p=8.65, ap=-1.09
1
NA
19937476541
 (3S)-3-amino-N-(benzothiophen-5-yl)butanamide		-32.55235.332-30.59-11.65p=10.51, ap=-0.81
3
UORSY BB Make-on-demand:BBV-29435658
Enamine BB Make on Demand:BBV-29435658
Otava (Virtual):2279943
20083100874
 (3S)-4-amino-3-(8-methylimidazo[1,2-a]pyridin-2-yl)butanoic		-32.55233.271-31.60-10.50p=10.50, ap=-0.95
4
NA