Virtually screened ligands of PD-L1

ZINC ID:
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Rank Zinc_Id Compound Delta_G Mol_wt ES Vdw Desolv RotBond Availability
1182069
-85.85241.312-78.84-1.59 p=-3.47, ap=-1.95
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
263887176
 N-ethyl-2-oxo-benzimidazole-5-sulfonamide		-75.76241.272-40.98-13.82p=-21.61, ap=0.65
3
Molport:MolPort-008-431-209
339962616
 N,N-dimethyl-2-oxo-benzimidazole-5-sulfonamide		-73.50241.272-43.26-13.50 p=-17.29, ap=0.56
2
Molport:MolPort-002-257-396
420254485
 N-(2-aminoethyl)pyrrolidine-1-sulfonamide		-53.47194.280-72.1815.10p=3.34, ap=0.27
4
UORSY BB Make-on-demand:BBV-32186683
576159882
 (2S)-2-(aminomethyl)-3-(5-carbamimidoyl-2-methyl-phenyl)propanoic		-46.15236.295-55.35-8.33p=18.04, ap=-0.51
5
NA
674462528
 (3S)-3-amino-4-(2,5-difluorophenyl)-4-oxo-butanoic		-46.12228.174-42.41-15.45p=12.94, ap=-1.20
4
NA
782538905
 (3S)-3-amino-4-(2-methylanilino)-4-oxo-butanoic		-45.91222.244-46.45-12.38p=13.79, ap=-0.86
4
UORSY BB Make-on-demand:BBV-39239601
Enamine BB Make on Demand:BBV-39239601
882548336
 (3S)-3-amino-4-(3,4-dimethylanilino)-4-oxo-butanoic		-45.91235.263-43.61-13.80p=12.15, ap=-0.66
4
UORSY BB Make-on-demand:BBV-39452641
Enamine BB Make on Demand:BBV-39452641
982538911
 (3S)-3-amino-4-(4-methylanilino)-4-oxo-butanoic		-45.41222.244-49.30-9.56p=13.55, ap=-0.10
4
UORSY BB Make-on-demand:BBV-39239588
Enamine BB Make on Demand:BBV-39239588
1037026846
 (2R)-2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide		-45.35246.294-30.14-23.05p=10.36, ap=-2.52
3
UORSY BB Make-on-demand:BBV-33208919
UORSY BB Make-on-demand:BBV-27180323
Enamine BB Make on Demand:BBV-27180323
Enamine BB Make on Demand:BBV-33208919
1113543771
 (3S)-3-amino-4-(cyclohexylamino)-4-oxo-butanoic		-44.99214.265-48.59-9.37p=13.36, ap=-0.38
4
UORSY BB Make-on-demand:BBV-39239528
Enamine BB Make on Demand:BBV-39239528
122452294
 [(1,3-benzoxazol-2-ylamino)-propionamido-methylene]ammonium		-44.61233.251-41.34-16.52p=14.29, ap=-1.04
4
eMolecules:26353373
IBScreen:STOCK4S-90846
Molport:MolPort-002-625-735
UORSY:PB56901369
1382548335
 (3R)-3-amino-4-(3,4-dimethylanilino)-4-oxo-butanoic		-44.61236.271-46.50-10.65p=13.02, ap=-0.48
4
UORSY BB Make-on-demand:BBV-39452641
Enamine BB Make on Demand:BBV-39452641
1482540396
 (3R)-3-amino-4-(2-fluoroanilino)-4-oxo-butanoic		-44.59226.207-46.10-11.22p=13.09, ap=-0.37
4
UORSY BB Make-on-demand:BBV-39239581
Enamine BB Make on Demand:BBV-39239581
1574432852
 (3S)-3-amino-4-(2-methoxy-5-methyl-phenyl)-4-oxo-butanoic		-44.53236.247-43.29-12.98p=13.23, ap=-1.50
5
NA
1682539365
 (3S)-3-amino-4-oxo-4-(2-pyridylmethylamino)butanoic		-44.53222.224-41.24-16.70p=13.41, ap=0.00
5
UORSY BB Make-on-demand:BBV-39239585
Enamine BB Make on Demand:BBV-39239585
1783366662
 (3S)-3-amino-3-[5-(tetrazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]propanoic		-44.50239.195-51.75-11.69p=18.67, ap=0.27
5
NA
1883289865
 (3R)-3-amino-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanoic		-44.39209.229-45.81-11.83p=14.05, ap=-0.80
3
NA
1983361773
 (3S)-3-amino-3-(5-pyrimidin-2-yl-1,3,4-oxadiazol-2-yl)propanoic		-44.39234.195-47.04-13.93p=15.09, ap=1.48
4
NA
2074431398
 (3S)-3-amino-4-(2-naphthyl)-4-oxo-butanoic		-44.36242.254-33.42-21.68p=12.52, ap=-1.79
4
NA
2176161388
 (2R)-2-amino-3-[4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]propanoic		-44.25247.258-31.15-20.38p=8.93, ap=-1.66
4
NA
2283361779
 (3S)-3-amino-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propanoic		-44.13234.195-48.09-12.08p=14.26, ap=1.78
4
NA
2382548344
 (3S)-3-amino-4-(4-ethylanilino)-4-oxo-butanoic		-43.97236.271-47.48-9.72p=13.77, ap=-0.54
5
UORSY BB Make-on-demand:BBV-39452625
Enamine BB Make on Demand:BBV-39452625
2475809622
 (4R)-4-(aminomethyl)-7-methyl-1,4,5,8-tetrahydroimidazo[4,5-g]indazole-3-carboxyl		-43.93248.266-48.49-6.84p=11.79, ap=-0.39
2
NA
2583355864
 (3S)-3-[5-(acetamidomethyl)-1,3,4-oxadiazol-2-yl]-3-amino-propanoic		-43.80227.200-48.83-11.54p=15.53, ap=1.04
5
NA
2674465145
 (3R)-3-amino-4-(4-methoxy-2-methyl-phenyl)-4-oxo-butanoic		-43.77236.247-39.11-16.67p=12.65, ap=-0.65
5
NA
2782548332
 (3S)-3-amino-4-(2,4-dimethylanilino)-4-oxo-butanoic		-43.74236.271-49.28-7.72p=14.01, ap=-0.75
4
UORSY BB Make-on-demand:BBV-39452611
Enamine BB Make on Demand:BBV-39452611
2882540404
 (3S)-3-amino-4-(3-fluoroanilino)-4-oxo-butanoic		-43.64226.207-44.22-12.25p=13.13, ap=-0.30
4
UORSY BB Make-on-demand:BBV-39239574
Enamine BB Make on Demand:BBV-39239574
2983322695
 (3S)-3-amino-3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic		-43.50226.260-42.38-14.55p=13.26, ap=0.17
3
NA
3096327352
 (6R,7S)-6,7-dihydroxy-6,7-dimethyl-1,4-dihydroimidazo[1,2-a]purin-9-one		-43.45238.227-36.09-22.69p=13.79, ap=1.54
0
NA
3182539368
(3S)-3-amino-4-oxo-4-(3-pyridylmethylamino)butanoic		-43.32224.240-40.73-16.29p=13.48, ap=0.23
5
UORSY BB Make-on-demand:BBV-39239619
Enamine BB Make on Demand:BBV-39239619
3235452483
 (1S)-2-(1H-imidazol-4-yl)-1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanamine		-43.31230.255-42.93-19.37p=19.18, ap=-0.19
3
AKOS (make-on-demand):AKOS005833300
UORSY BB Make-on-demand:BBV-24885397
Enamine BB Make on Demand:BBV-24885397
3383014027
 (3S)-3-amino-3-(5-methyl-1,2-benzoxazol-3-yl)propanoic		-43.31220.228-45.14-10.87p=14.07, ap=-1.37
3
NA
3496327351
 (6S,7S)-6,7-dihydroxy-6,7-dimethyl-1,4-dihydroimidazo[1,2-a]purin-9-one		-43.30238.227-35.74-22.54p=14.51, ap=0.47
0
NA
3544608383
 Galactostatin Bisulfite		-43.25244.245-45.93-13.36p=11.32, ap=4.71
3
Toronto Research Chemicals:G156500
3657516025
 (3S)-3-amino-4-(2,4-dimethylphenoxy)butanoic		-43.24222.264-42.64-12.70p=13.59, ap=-1.50
5
NA
3737996521
 (2S)-1-[(2S)-2,4-diamino-4-oxo-butanoyl]piperidine-2-carboxamide		-43.15243.287-46.97-15.20p=16.90, ap=2.12
4
Enamine BB Make on Demand:BBV-32274627
3882539364
 (3R)-3-amino-4-oxo-4-(2-pyridylmethylamino)butanoic		-43.06223.232-41.31-14.72p=12.68, ap=0.29
5
UORSY BB Make-on-demand:BBV-39239585
Enamine BB Make on Demand:BBV-39239585
3974460660
 (3R)-3-amino-4-(1-methylbenzimidazol-5-yl)-4-oxo-butanoic		-43.03246.246-35.14-19.69p=12.90, ap=-1.11
4
NA
4083044298
 (3S)-3-amino-3-(5-fluoro-1,2-benzoxazol-3-yl)propanoic		-42.96223.183-44.94-11.36p=14.53, ap=-1.19
3
NA
4174460251
 (3S)-3-amino-4-(1,3-benzodioxol-5-yl)-4-oxo-butanoic		-42.93236.203-37.76-17.87p=13.25, ap=-0.54
4
NA
4237008886
 (2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide		-42.91232.267-29.63-21.12p=9.24, ap=-1.39
3
UORSY BB Make-on-demand:BBV-33208759
UORSY BB Make-on-demand:BBV-27173817
Enamine BB Make on Demand:BBV-27173817
Enamine BB Make on Demand:BBV-33208759
4376135726
 (2S)-2-amino-2-[4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]acetic		-42.80233.231-39.16-18.25p=15.10, ap=-0.49
3
NA
4483037547
 (3R)-3-amino-3-(1,2-benzothiazol-3-yl)propanoic		-42.79222.269-39.45-14.41p=11.72, ap=-0.66
3
NA
4583360599
 (3S)-3-amino-3-[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl]propanoic		-42.77233.207-48.89-9.08p=15.11, ap=0.09
4
NA
4683367755
 (3R)-3-amino-4-[(3-fluorophenyl)methylamino]-4-oxo-butanoic		-42.77239.226-36.18-18.05p=12.05, ap=-0.58
5
UORSY BB Make-on-demand:BBV-39452681
Enamine BB Make on Demand:BBV-39452681
4782547378
 (3S)-3-amino-4-indolin-1-yl-4-oxo-butanoic		-42.73233.247-44.16-11.19p=13.79, ap=-1.17
3
UORSY BB Make-on-demand:BBV-39452620
Enamine BB Make on Demand:BBV-39452620
4883037550
 (3S)-3-amino-3-(1,2-benzothiazol-3-yl)propanoic		-42.70222.269-37.64-16.14p=12.04, ap=-0.96
3
NA
4982538903
 (3R)-3-amino-4-(2-methylanilino)-4-oxo-butanoic		-42.68221.236-45.63-10.77p=14.16, ap=-0.44
4
UORSY BB Make-on-demand:BBV-39239601
Enamine BB Make on Demand:BBV-39239601
5082931568
 (3S)-3-amino-3-(1,2-benzoxazol-3-yl)propanoic		-42.68206.201-38.94-16.30p=13.13, ap=-0.57
3
NA
5183352351
 (3S)-3-amino-3-[5-(1H-imidazol-4-yl)-1,3,4-oxadiazol-2-yl]propanoic		-42.66224.200-46.84-11.99p=15.40, ap=0.77
4
NA
5244216863
 (3S)-3-amino-3-[4-(2-pyridyl)phenyl]propanoic		-42.63242.278-44.77-11.61p=14.92, ap=-1.17
4
Rare Chemicals:ALBL0841
5357534397
 (3S)-3-amino-4-(4-chloro-2-methyl-phenoxy)butanoic		-42.62243.690-43.49-12.21p=14.58, ap=-1.50
5
NA
5483353835
 (3S)-3-amino-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propanoic		-42.61225.248-44.21-11.63p=13.05, ap=0.18
4
NA
5582548331
 (3R)-3-amino-4-(2,4-dimethylanilino)-4-oxo-butanoic		-42.60236.271-45.04-10.12p=12.97, ap=-0.41
4
UORSY BB Make-on-demand:BBV-39452611
Enamine BB Make on Demand:BBV-39452611
5683289866
 (3S)-3-amino-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanoic		-42.59209.229-40.75-14.74p=13.55, ap=-0.65
3
NA
5783380023
 (3S)-3-amino-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]propanoic		-42.55248.222-45.61-12.98p=14.50, ap=1.54
4
NA
5883297373
 (3S)-3-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)propanoic		-42.54211.201-43.34-13.17p=14.05, ap=-0.08
3
NA
5983044296
 (3R)-3-amino-3-(5-fluoro-1,2-benzoxazol-3-yl)propanoic		-42.52224.191-41.93-13.90p=14.40, ap=-1.08
3
NA
6074432436
 (3S)-3-amino-4-(4-tert-butylphenyl)-4-oxo-butanoic		-42.47248.302-37.56-15.90p=12.16, ap=-1.17
5
NA
6174428112
 (3S)-3-amino-4-oxo-4-tetralin-6-yl-butanoic		-42.46246.286-33.98-18.40p=11.45, ap=-1.53
4
NA
6219583674
 MFCD01025468		-42.44222.266-61.7912.08p=6.87, ap=0.40
3
UORSY BB Make-on-demand:BBV-191909
Matrix Scientific:021445
6336427680
 GalactostatinBisulfite		-42.41244.245-49.74-9.98p=12.78, ap=4.52
3
Tractus:TRA0013915
6475450133
 (3S)-3-(1-acetylindolin-5-yl)-3-amino-propanoic		-42.40248.282-48.11-10.18p=17.10, ap=-1.22
3
NA
6582530083
 (3S)-3-amino-4-(tert-butylamino)-4-oxo-butanoic		-42.35187.219-49.17-5.93p=12.57, ap=0.18
4
UORSY BB Make-on-demand:BBV-39239534
Enamine BB Make on Demand:BBV-39239534
6696895657
 (3R)-3-amino-3-(7-methoxy-2-quinolyl)propanoic		-42.34246.266-41.56-12.99p=12.96, ap=-0.75
4
NA
6774460499
 (3S)-3-amino-4-indan-5-yl-4-oxo-butanoic		-42.31232.259-35.37-17.55p=12.07, ap=-1.46
4
NA
6874461516
 (3S)-3-amino-4-(4-dimethylaminophenyl)-4-oxo-butanoic		-42.30235.263-36.22-17.34p=12.06, ap=-0.81
5
NA
6937627951
 (2S)-2-amino-N-[(3S)-2-oxoazepan-3-yl]butanediamide		-42.25243.287-50.12-12.79p=19.97, ap=0.70
4
UORSY BB Make-on-demand:BBV-29448737
Enamine BB Make on Demand:BBV-29448737
7075450148
 (3S)-3-amino-3-[4-(cyclopropanecarbonylamino)phenyl]propanoic		-42.24248.282-44.00-13.74p=15.93, ap=-0.44
5
NA
7183320832
 (3R)-3-amino-3-(3-cyclopentyl-1H-pyrazol-4-yl)propanoic		-42.24223.276-36.60-18.51p=13.65, ap=-0.78
4
NA
7236374560
 (3S)-3-amino-4-oxo-4-phenyl-butanoic		-42.23192.194-44.64-9.19p=12.31, ap=-0.72
4
NA
7382966991
 (3S)-3-amino-3-(5,6-dihydrothiazolo[2,3-c][1,2,4]triazol-3-yl)propanoic		-42.23214.250-44.58-13.01p=16.43, ap=-1.06
3
NA
7483126586
 (3R)-3-amino-3-(5-methyl-1,2-benzothiazol-3-yl)propanoic		-42.23236.296-37.96-15.96p=12.41, ap=-0.72
3
NA
7583107066
 (3S)-3-amino-3-(5-methoxybenzofuran-2-yl)propanoic		-42.22235.239-44.05-11.13p=13.53, ap=-0.56
4
NA
7636427679
 GalactostatinBisulfite		-42.21244.245-47.70-11.14p=12.18, ap=4.44
3
Tractus:TRA0013915
7783330454
 (3R)-3-amino-3-(7-hydroxy-2-quinolyl)propanoic		-42.21232.239-43.18-11.69p=13.06, ap=-0.40
3
NA
7883378137
 (3S)-3-amino-3-[5-(3-pyridylmethyl)-1,3,4-oxadiazol-2-yl]propanoic		-42.21247.234-49.46-7.47p=14.69, ap=0.02
5
NA
7937769608
 (2S)-2-amino-N-(1H-indazol-4-yl)butanediamide		-42.20248.266-52.81-12.94p=22.63, ap=0.91
4
UORSY BB Make-on-demand:BBV-32132517
Enamine BB Make on Demand:BBV-32132517
8077334154
 (3S)-3-amino-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)propanoic		-42.20222.288-38.78-14.64p=12.64, ap=-1.43
4
NA
8176136269
 2-[2-[(1S)-1-amino-2-hydroxy-ethyl]imidazol-1-yl]benzoic		-42.17247.254-46.14-7.65p=10.29, ap=1.33
4
NA
8283009650
 (3R)-3-amino-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanoic		-42.17219.244-40.34-15.90p=14.90, ap=-0.83
3
NA
8382540398
 (3S)-3-amino-4-(2-fluoroanilino)-4-oxo-butanoic		-42.16226.207-43.79-10.38p=12.31, ap=-0.30
4
UORSY BB Make-on-demand:BBV-39239581
Enamine BB Make on Demand:BBV-39239581
8483107076
 (3R)-3-amino-3-(7-methoxybenzofuran-2-yl)propanoic		-42.13235.239-40.00-13.75p=12.20, ap=-0.56
4
NA
8582931649
 (3S)-3-amino-3-(2,1-benzoxazol-3-yl)propanoic		-42.12206.201-40.71-15.35p=14.47, ap=-0.54
3
NA
8682538910
 (3R)-3-amino-4-(4-methylanilino)-4-oxo-butanoic		-42.11222.244-45.22-10.26p=13.41, ap=-0.04
4
UORSY BB Make-on-demand:BBV-39239588
Enamine BB Make on Demand:BBV-39239588
8744216176
 (3R)-3-amino-3-(8-hydroxy-2-quinolyl)propanoic		-42.09232.239-43.24-11.68p=13.18, ap=-0.35
3
NA
8883335324
 (3S)-3-amino-3-(6-pyrrolidin-1-yl-3-pyridyl)propanoic		-42.07236.295-41.75-12.85p=13.51, ap=-0.98
4
NA
893767918
 [(1,3-benzoxazol-2-ylamino)-butyramido-methylene]ammonium		-42.06247.278-39.45-15.14p=13.63, ap=-1.10
5
Scientific Exchange (make on demand):X-015310
Vitas-M:STK789416
IBScreen:STOCK1S-49743
9083380508
 (3S)-3-amino-3-[5-[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]-1,3,4-oxadiazol-2-yl]propanoic		-42.06248.262-43.09-12.67p=13.29, ap=0.41
4
NA
9177365777
 (3R)-3-amino-3-(2-methyl-1H-benzimidazol-5-yl)butanoic		-42.05233.271-39.44-14.14p=12.52, ap=-0.99
3
NA
9283330442
 (3R)-3-amino-3-(8-hydroxy-3-quinolyl)propanoic		-42.05231.231-45.34-12.91p=16.55, ap=-0.35
3
NA
9334242101
 (3S)-3-amino-4-isopropoxy-4-oxo-butanoic		-42.03174.176-43.61-10.75p=12.94, ap=-0.61
5
NA
9482549114
 (3S)-3-amino-4-(2-methoxyanilino)-4-oxo-butanoic		-42.01238.243-47.22-7.10p=12.24, ap=0.07
5
UORSY BB Make-on-demand:BBV-39452543
Enamine BB Make on Demand:BBV-39452543
9535694783
 1-[2-[[(1R)-1-(2-pyridyl)ethyl]amino]ethyl]imidazolidin-2-one		-42.00235.311-36.52-12.31p=7.81, ap=-0.98
5
UORSY BB Make-on-demand:BBV-25042549
Enamine BB Make on Demand:BBV-25042549
Enamine BB Make on Demand:BBV-44204187
9640831962
 ethyl		-42.00237.279-29.10-18.02p=7.33, ap=-2.21
5
UORSY BB Make-on-demand:BBV-33209911
UORSY BB Make-on-demand:BBV-32599804
Enamine BB Make on Demand:BBV-32599804
Enamine BB Make on Demand:BBV-33209911
9782548333
 (3R)-3-amino-4-(2,5-dimethylanilino)-4-oxo-butanoic		-42.00236.271-38.58-14.87p=12.31, ap=-0.86
4
UORSY BB Make-on-demand:BBV-39452607
Enamine BB Make on Demand:BBV-39452607
9883333667
 (3R)-3-amino-3-(7-fluoro-2-quinolyl)propanoic		-42.00234.230-45.09-10.13p=14.22, ap=-1.00
3
NA
9983378182
 (3S)-3-amino-3-[5-(6-methyl-2-pyridyl)-1,3,4-oxadiazol-2-yl]propanoic		-42.00248.242-46.70-10.35p=15.21, ap=-0.16
4
NA
10083009653
 (3S)-3-amino-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanoic		-41.99219.244-39.81-16.62p=15.55, ap=-1.11
3
NA
10182535192
 (3S)-3-amino-4-oxo-4-[[(2S)-tetrahydrofuran-2-yl]methylamino]butanoic		-41.96215.229-46.47-8.95p=13.67, ap=-0.22
5
UORSY BB Make-on-demand:BBV-39239595
Enamine BB Make on Demand:BBV-39239595
10283359417
 (3S)-3-amino-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic		-41.96233.227-43.05-12.31p=13.53, ap=-0.13
4
NA
10383367776
 (3S)-3-amino-3-(5-thiazol-2-yl-1,3,4-oxadiazol-2-yl)propanoic		-41.94239.236-47.19-10.48p=15.05, ap=0.68
4
NA
10482546857
 (3R)-3-amino-4-(2-cyanoanilino)-4-oxo-butanoic		-41.91233.227-40.71-13.91p=13.13, ap=-0.42
4
UORSY BB Make-on-demand:BBV-39452613
Enamine BB Make on Demand:BBV-39452613
10572386532
 5-[5-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]pyridin-2-amine		-41.90242.306-57.26-11.62p=27.18, ap=-0.20
2
Ambinter:Amb20074384
10683333665
 (3R)-3-amino-3-(8-fluoro-2-quinolyl)propanoic		-41.90234.230-44.26-11.17p=14.48, ap=-0.94
3
NA
10737027674
 (2R)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide		-41.89232.267-33.31-17.21p=11.13, ap=-2.50
3
UORSY BB Make-on-demand:BBV-33208928
UORSY BB Make-on-demand:BBV-27180745
Enamine BB Make on Demand:BBV-27180745
Enamine BB Make on Demand:BBV-33208928
10895072981
 2-((S)-((R)-pyrrolidin-3-yl)sulfinyl)nicotinonitrile hydrochloride		-41.89222.293-40.83-19.80p=18.86, ap=-0.11
2
Chembo Pharma:KB-138731
10982931724
 (3R)-3-amino-3-imidazo[1,2-a]pyrimidin-3-yl-propanoic		-41.88206.205-41.40-16.67p=17.22, ap=-1.02
3
NA
11083366802
 (3S)-3-amino-3-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]propanoic		-41.88239.256-43.90-11.89 p=13.73, ap=0.18
4
NA
11176161385
 (2R)-2-amino-3-[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]propanoic		-41.87247.258-30.48-19.40p=9.00, ap=-0.99
4
NA
11276168346
 1-methyl-5-[[(2R)-4-methylpiperazin-2-yl]methyl]pyrazole-4-carboxylic		-41.87238.291-34.37-15.76p=9.01, ap=-0.76
3
NA
11383129107
 (3R)-3-amino-3-(7-hydroxybenzothiophen-2-yl)propanoic		-41.87236.272-42.70-13.31p=14.65, ap=-0.51
3
NA
11483300933
 (3S)-3-amino-3-quinazolin-4-yl-propanoic		-41.85217.228-35.55-17.53p=12.14, ap=-0.90
3
NA
11576135693
 (2R)-2-amino-2-[1-(2-cyanophenyl)imidazol-2-yl]acetic		-41.83242.238-45.60-14.68p=20.36, ap=-1.91
3
NA
1168700672
 (2S,3S)-3-Amino-2-hydroxy-3-(naphthalen-2-yl)propanoic acid		-41.82231.251-42.89-12.96p=15.10, ap=-1.06
3
PepTech:TL820-1
Zylexa Pharma BB:ZP-BB-PT001626
Ark Pharm Building Blocks:AK119193
ChemMol:97602120
Chembo Pharma:KB-206684
AK Scientific:6600AC
11783320752
 (3R)-4-amino-3-[6-(dimethylamino)-2-pyridyl]butanoic		-41.81223.276-45.31-9.64p=14.69, ap=-1.56
5
NA
11883352451
 (3S)-3-amino-3-(5-cyclopent-3-en-1-yl-1,3,4-oxadiazol-2-yl)propanoic		-41.81223.232-46.38-8.45p=13.28, ap=-0.26
4
NA
11982550619
 (3R)-3-amino-4-(3-chloroanilino)-4-oxo-butanoic		-41.79242.662-45.92-9.74p=13.96, ap=-0.09
4
UORSY BB Make-on-demand:BBV-39239573
Enamine BB Make on Demand:BBV-39239573
12083132980
 (3R)-3-amino-3-(7-fluorobenzothiophen-2-yl)propanoic		-41.79239.271-43.17-12.32p=14.98, ap=-1.28
3
NA
12182540402
 (3R)-3-amino-4-(3-fluoroanilino)-4-oxo-butanoic		-41.78226.207-46.51-10.12p=15.10, ap=-0.26
4
UORSY BB Make-on-demand:BBV-39239574
Enamine BB Make on Demand:BBV-39239574
12237023495
 (2R)-2-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide		-41.76245.306-29.17-18.78p=7.66, ap=-1.47
4
UORSY BB Make-on-demand:BBV-33208891
UORSY BB Make-on-demand:BBV-27179154
Enamine BB Make on Demand:BBV-27179154
Enamine BB Make on Demand:BBV-33208891
12382553978
 (3S)-3-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanoic		-41.76248.282-36.94-15.53p=11.25, ap=-0.53
3
UORSY BB Make-on-demand:BBV-39452604
Enamine BB Make on Demand:BBV-39452604
12483376422
 (3S)-3-amino-3-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]propanoic		-41.76247.254-42.49-12.64p=13.61, ap=-0.23
4
NA
12544196968
 3-Amino-3-(3-fluoro-4-methoxyphenyl)propanoic acid		-41.72213.208-47.12-9.71p=15.81, ap=-0.71
4
UORSY BB Make-on-demand:BBV-40066787
Ark Pharm Building Blocks:AK151217
Bide Pharmatech BB:BD83933
Molport BB:MolPort-023-039-866
Molport:MolPort-023-039-866
12677340833
 (3S)-3-amino-3-(4-ethoxy-3-fluoro-phenyl)propanoic		-41.71227.235-43.41-11.83p=14.25, ap=-0.73
5
NA
12783111371
 (3R,5R)-5-(2,3-dihydro-1H-imidazo[1,5-a]imidazol-5-yl)-2-oxo-pyrrolidine-3-carboxylic		-41.71237.239-41.88-12.21p=11.66, ap=0.72
2
NA
12822152047
 N-(2-aminophenyl)-2-[(2S)-2-methyl-1-piperidyl]acetamide		-41.69248.350-37.52-12.91p=10.53, ap=-1.79
3
UORSY BB Make-on-demand:BBV-016827
Enamine BB Make on Demand:BBV-016827
12983347278
 (3S)-3-amino-3-(5-isobutyl-1,3,4-oxadiazol-2-yl)propanoic		-41.69213.237-48.63-7.05p=13.99, ap=-0.01
5
NA
13019410536
 (2S)-N-[2-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide		-41.68248.306-30.44-18.81p=8.54, ap=-0.97
3
UORSY BB Make-on-demand:BBV-32496768
UORSY BB Make-on-demand:BBV-056045
Enamine BB Make on Demand:BBV-056045
Enamine BB Make on Demand:BBV-32496768
13183367753
 (3R)-3-amino-4-[(2-fluorophenyl)methylamino]-4-oxo-butanoic		-41.67240.234-39.44-13.61p=11.79, ap=-0.41
5
UORSY BB Make-on-demand:BBV-39452618
Enamine BB Make on Demand:BBV-39452618
13283040427
 (3R)-3-amino-3-(7-fluorobenzofuran-2-yl)propanoic		-41.66223.203-45.24-9.52p=14.01, ap=-0.92
3
NA
13396964761
 1-[(2R)-2-aminopropyl]-1-(2-methyl-1H-indol-3-yl)urea		-41.66247.322-30.85-21.90p=12.24, ap=-1.15
3
NA
13474427540
 (3S)-3-amino-4-(4-isopropylphenyl)-4-oxo-butanoic		-41.65234.275-36.56-15.81p=11.95, ap=-1.23
5
NA
13563196613
 6-[(2S)-2-[(1R)-1-aminoethyl]-1-piperidyl]-2H-1,2,4-triazine-3,5-dione		-41.64239.279-40.67-12.34p=11.49, ap=-0.13
2
UORSY BB Make-on-demand:BBV-37170355
13682652149
 6-[(2S)-2-[(1R)-1-aminoethyl]-1-piperidyl]-2H-1,2,4-triazine-3,5-dione		-41.64224.288-44.95-16.33p=18.54, ap=1.10
3
NA
13783365489
 (3R)-3-amino-4-[(2-hydroxyphenyl)methylamino]-4-oxo-butanoic		-41.64238.243-37.86-16.85p=12.61, ap=0.47
5
NA
13883364395
 (3S)-3-amino-3-[5-(imidazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]propanoic		-41.63238.227-47.19-9.32p=15.00, ap=-0.11
5
NA
13983009638
 (3R)-3-amino-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic		-41.61219.244-40.76-15.20p=15.11, ap=-0.76
3
NA
14074460661
 (3S)-3-amino-4-(1-methylbenzimidazol-5-yl)-4-oxo-butanoic		-41.58246.246-38.61-16.09p=14.00, ap=-0.87
4
NA
14183352335
(3S)-3-amino-3-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]propanoic		-41.57222.180-44.82-11.39p=14.21, ap=0.43
4
NA
14283352353
 (3S)-3-amino-3-[5-(1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]propanoic		-41.57222.184-46.75-11.12p=15.25, ap=1.05
4
NA
14383370091
 (3S)-3-[5-[(1S)-1-acetamidoethyl]-1,3,4-oxadiazol-2-yl]-3-amino-propanoic		-41.57241.227-48.15-9.49p=14.34, ap=1.73
5
NA
14482529300
 (3S)-3-amino-4-(isopropylamino)-4-oxo-butanoic		-41.56173.192-49.52-4.93p=12.56, ap=0.33
4
UORSY BB Make-on-demand:BBV-39239536
Enamine BB Make on Demand:BBV-39239536
14583014025
 (3R)-3-amino-3-(5-methyl-1,2-benzoxazol-3-yl)propanoic		-41.55220.228-38.25-15.62 p=12.81, ap=-0.50
3
NA
1463160824
 BLAH		-41.54218.136-39.09-20.11p=18.23, ap=-0.57
0
Asinex:BAS01008964
Molport:MolPort-001-903-222
Ambinter:Amb17941150
TimTec:ST51169265
AKOS:AKOS000678737
14782530079
 (3S)-3-amino-4-[[(1S)-1-methylpropyl]amino]-4-oxo-butanoic		-41.54188.227-48.08-6.95p=13.70, ap=-0.22
5
UORSY BB Make-on-demand:BBV-39239540
Enamine BB Make on Demand:BBV-39239540
14883113212
 (3S)-3-amino-3-(6-methoxy-1H-indol-2-yl)propanoic		-41.53233.247-46.58-10.48p=16.05, ap=-0.52
4
NA
14959644339
 (3S)-3-amino-4-[benzyl(methyl)amino]-4-oxo-butanoic		-41.52236.271-36.69-14.97p=10.98, ap=-0.84
5
UORSY BB Make-on-demand:BBV-39452599
Enamine BB Make on Demand:BBV-39452599
15027849401
 (2S)-3-amino-2-(5-methoxy-1H-indol-3-yl)propanoic		-41.51234.255-46.12-9.69p=14.22, ap=0.08
4
NA
15176137565
 (2S)-2-(aminomethyl)-3-(1-ethylbenzimidazol-2-yl)propanoic		-41.51247.298-39.65-13.89p=13.84, ap=-1.81
5
NA
15282929431
 (3R)-3-amino-3-imidazo[1,2-a]pyridin-3-yl-propanoic		-41.51204.209-40.06-15.71 p=14.96, ap=-0.70
3
NA
15382931567
 (3R)-3-amino-3-(1,2-benzoxazol-3-yl)propanoic		-41.50205.193-41.52-13.73 p=14.79, ap=-1.04
3
NA
15471334774
 (2R)-2-amino-N-[(2-methylpyrazol-3-yl)methyl]-2-phenyl-acetamide		-41.49244.298-31.87-18.59p=10.06, ap=-1.09
4
UORSY BB Make-on-demand:BBV-37312775
Enamine BB Make on Demand:BBV-44238904
15544214620
 (3S)-3-amino-4-(3,4-difluorophenyl)-4-oxo-butanoic		-41.47229.182-41.72-13.19p=14.58, ap=-1.14
4
NA
15683107065
 (3R)-3-amino-3-(5-methoxybenzofuran-2-yl)propanoic		-41.47234.231-44.41-10.29p=13.74, ap=-0.50
4
NA
15737627947
 (2R)-2-amino-N-[(3S)-2-oxoazepan-3-yl]butanediamide		-41.43243.287-47.29-13.04p=17.36, ap=1.54
4
UORSY BB Make-on-demand:BBV-29448737
Enamine BB Make on Demand:BBV-29448737
15876136266
 2-[2-[(1R)-1-amino-2-hydroxy-ethyl]imidazol-1-yl]benzonitrile		-41.43229.263-41.26-16.85p=17.22, ap=-0.53
3
NA
15982549117
 (3R)-3-amino-4-(4-methoxyanilino)-4-oxo-butanoic		-41.42238.243-43.98-9.66p=12.14, ap=0.08
5
UORSY BB Make-on-demand:BBV-39452532
Enamine BB Make on Demand:BBV-39452532
16083112155
 (3S)-3-amino-3-(2,5,7-trimethylimidazo[1,2-a]imidazol-6-yl)propanoic		-41.42236.275-40.39-14.50p=15.22, ap=-1.76
3
NA
16119517144
 2-[(2-aminoacetyl)amino]-N-propyl-benzamide		-41.41236.295-32.72-18.49 p=10.73, ap=-0.94
5
UORSY BB Make-on-demand:BBV-087452
Enamine BB Make on Demand:BBV-087452
16286864969
 GLYOXAL SODIUM BISULFITE		-41.41222.196-43.15-11.46p=9.36, ap=3.85
5
FineTech:FT-0626795
16382553977
 (3R)-3-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanoic		-41.40248.282-31.02-20.77p=12.15, ap=-1.76
3
UORSY BB Make-on-demand:BBV-39452604
Enamine BB Make on Demand:BBV-39452604
16482966989
 (3R)-3-amino-3-(5,6-dihydrothiazolo[2,3-c][1,2,4]triazol-3-yl)propanoic		-41.40214.250-46.18-11.16p=16.80, ap=-0.86
3
NA
16596895658
 (3S)-3-amino-3-(7-methoxy-2-quinolyl)propanoic		-41.40246.266-47.37-12.36p=19.40, ap=-1.07
4
NA
16683361768
 (3S)-3-amino-3-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)propanoic		-41.38234.195-48.05-9.02p=15.44, ap=0.26
4
NA
16783363136
 (3R)-3-amino-4-(m-tolylmethylamino)-4-oxo-butanoic		-41.36236.271-41.28-10.49p=10.59, ap=-0.17
5
UORSY BB Make-on-demand:BBV-39452942
Enamine BB Make on Demand:BBV-39452942
16837026667
 (2R)-2-amino-N-(2-pyrazol-1-ylphenyl)propanamide		-41.35231.279-33.15-16.73p=10.54, ap=-2.01
3
UORSY BB Make-on-demand:BBV-33208916
UORSY BB Make-on-demand:BBV-27180219
Enamine BB Make on Demand:BBV-27180219
Enamine BB Make on Demand:BBV-33208916
16982346091
 (2S)-2-amino-1-(2-furyl)-3-(2-hydroxyphenyl)propan-1-one		-41.35232.259-33.79-19.02p=13.07, ap=-1.60
4
NA
17083378169
 (3S)-3-amino-3-[5-(5-methyl-3-pyridyl)-1,3,4-oxadiazol-2-yl]propanoic		-41.35249.250-46.54-8.81p=13.65, ap=0.36
4
NA
17119815038
 (1R,2S)-1-amino-1-(5-chloro-1,3-benzothiazol-2-yl)propan-2-ol		-41.34242.731-29.83-12.85p=1.90, ap=-0.57
2
UORSY BB Make-on-demand:BBV-099179
Enamine BB Make on Demand:BBV-099179
17277368241
 (3R)-3-amino-3-(2-methyl-1,3-benzoxazol-5-yl)butanoic		-41.33234.255-36.58-15.35p=11.30, ap=-0.71
3
NA
17338017795
 2-[ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic		-41.32248.306-40.94-13.88p=16.01, ap=-2.51
5
UORSY BB Make-on-demand:BBV-32288478
Enamine BB Make on Demand:BBV-32288478
17440795701
 6-ethoxy-N4-(5-methyl-2-pyridyl)pyrimidine-4,5-diamine		-41.32245.286-32.21-22.29p=15.30, ap=-2.12
4
Innovapharm Make-on-Demand:VT-00337130
17574428650
 (3S)-3-amino-4-(4-chlorophenyl)-4-oxo-butanoic		-41.32226.639-38.62-14.31p=12.42, ap=-0.81
4
NA
17683302972
 (3R)-3-amino-3-(5-chloro-3-ethyl-isoxazol-4-yl)propanoic		-41.30218.640-32.31-19.41p=11.12, ap=-0.71
4
NA
17796895662
 (3S)-3-amino-3-(6-methoxy-3-quinolyl)propanoic		-41.27246.266-43.87-12.71p=15.87, ap=-0.55
4
NA
17896963761
 1-[(2S)-2-aminopropyl]-1-(2-methyl-1H-benzimidazol-5-yl)urea		-41.27248.310-36.10-19.63p=14.69, ap=-0.23
3
NA
17974425010
 (3S)-3-amino-4-(3,4-dimethylphenyl)-4-oxo-butanoic		-41.24220.248-37.56-14.57p=11.72, ap=-0.83
4
NA
18037623126
 (2S)-2-amino-N-(2,4-dimethylphenyl)butanediamide		-41.22236.295-49.60-11.96p=20.23, ap=0.11
4
UORSY BB Make-on-demand:BBV-29447215
Enamine BB Make on Demand:BBV-29447215
18164219287
 (3S,5S)-3,5-diamino-4-oxo-hexanoic		-41.22161.181-45.29-9.07p=12.94, ap=0.21
4
NA
18276135734
 (2S)-2-amino-2-[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]acetic		-41.21248.242-41.45-16.40p=16.64, ap=0.00
3
NA
18377057345
 5-(aminomethyl)-4-(3-ethoxyphenyl)-1H-pyridazin-6-one		-41.21246.290-42.17-20.56p=21.49, ap=0.03
4
NA
18436470974
 ABT-888		-41.20244.298-41.02-14.79p=15.06, ap=-0.46
2
Tractus:TRA0095551
Zylexa Pharma BB:ZP-BB-AL010159
18582929432
 (3S)-3-amino-3-imidazo[1,2-a]pyridin-3-yl-propanoic		-41.20205.217-38.67-16.68p=15.13, ap=-0.98
3
NA
18683297372
 (3R)-3-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)propanoic		-41.20212.209-41.66-13.57p=13.91, ap=0.12
3
NA
18783378132
 (3S)-3-amino-3-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]propanoic		-41.20248.242-43.23-12.11 p=13.40, ap=0.74
4
NA
18871916781
 N-(3-hydroxy-2-pyridyl)-2-[(2S)-2-methylpyrrolidin-1-yl]acetamide		-41.19235.287-41.69-11.07p=12.35, ap=-0.78
2
Molport:MolPort-020-058-619
eMolecules:36985496
Mcule Make-on-demand:MCULE-7471764031
Enamine:Z1251058823
Mcule:MCULE-7471764031
Ambinter:Amb19371856
18951819915
 N-(3-cyanophenyl)-2-[[(2S)-2-hydroxypropyl]-methyl-amino]acetamide		-41.18247.298-34.14-16.96p=10.80, ap=-0.88
5
Enamine BB Make on Demand:BBV-34188617
19082549118
 (3S)-3-amino-4-(4-methoxyanilino)-4-oxo-butanoic		-41.18238.243-45.02-10.02p=13.93, ap=-0.07
5
UORSY BB Make-on-demand:BBV-39452532
Enamine BB Make on Demand:BBV-39452532
19183360595
 (3S)-3-amino-3-[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]propanoic		-41.18234.215-43.33-12.50p=14.12, ap=0.54
4
NA
19222927770
 [1-(1H-indole-3-yl)-2-pyrrolidin-1-yl-ethyl]-methyl-amine		-41.17244.362-39.20-10.76p=10.66, ap=-1.87
4
BioSynth:Q-102926
ChemMol:44020230
Ark Pharm Building Blocks:AK-41131
Chembo Pharma:KB-63686
19337386085
 N-(2,5-difluorophenyl)-2-(isopropylamino)acetamide		-41.17229.250-37.59-13.22p=11.21, ap=-1.58
4
UORSY BB Make-on-demand:BBV-29341520
Enamine BB Make on Demand:BBV-29341520
19454497505
 (1S)-2-(1H-imidazol-4-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine		-41.17192.226-46.30-12.84p=18.25, ap=-0.28
3
UORSY BB Make-on-demand:BBV-34583764
Enamine BB Make on Demand:BBV-34583764
19583330469
 (3R)-3-amino-3-(6-hydroxy-3-quinolyl)propanoic		-41.15232.239-44.56-13.59p=16.62, ap=0.39
3
NA
19656963191
 D-Aspartic acid ??-tert.butyl esterhydrochloride		-41.14189.211-42.60-10.45p=12.44, ap=-0.53
5
Bachem:F-3855
Apexmol Building Blocks:AM81596
Ambinter:Amb19944280
Chembo Pharma:KB-49594
Tractus:TRA0026425
19776631659
 (3R)-3-(aminomethyl)-1-indolin-1-yl-4-methyl-pentan-1-one		-41.14247.362-45.81-15.58p=21.86, ap=-1.61
4
NA
19883322694
 (3R)-3-amino-3-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic		-41.14226.260-40.66-14.13p=13.47, ap=0.17
3
NA
19943125994
 (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(3-thienyl)ethanamine		-41.13241.365-47.72-13.62p=21.47, ap=-1.26
4
UORSY BB Make-on-demand:BBV-33288508
Enamine BB Make on Demand:BBV-33288508
20082533944
 (3S)-3-amino-4-(azepan-1-yl)-4-oxo-butanoic		-41.13214.265-38.42-13.65p=11.82, ap=-0.89
3
UORSY BB Make-on-demand:BBV-39239552
Enamine BB Make on Demand:BBV-39239552