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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00895664

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM
A,B,C2W6T0.73
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM
A,B,C2W160.73
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM
A,B,C2W760.73
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM
A,B,C2W780.73
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM
A,B,C2W6U0.73
PVE(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-
8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-
A]QUINOLIN-11-IUM
A,B,C2W770.73
D284-{[4-(4-fluoro-3-methylphenyl)-
1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
A,B,C,D2VD10.7
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE
A2J5E0.71
LN1(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-
N-(2-formylindolizin-3-yl)-3-sulfino-
D-valine
A3D4F0.73
AK53-({3-[(6-amino-5-bromopyrimidin-
4-yl)sulfanyl]propanoyl}amino)-
4-methoxy-N-phenylbenzamide
A3DJ50.73
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
A,B2PSJ0.7
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
A2F8P0.7
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
A1S360.7
FRKN-[4,5-BIS(4-HYDROXYPHENYL)-1,3-
THIAZOL-2-YL]HEXANAMIDE
A1WXY0.7
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.7
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.7
Q4AN-(1-benzylpiperidin-4-yl)-6,7-
dimethoxy-2-(4-methyl-1,4-diazepan-
1-yl)quinazolin-4-amine
A,B3FPD0.71
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BAC0.75
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BA90.75
447N-(4-{[6-methoxy-7-(3-morpholin-
4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide
A,B2VRX0.72
MSQ4-[3-METHYLSULFANYLANILINO]-6,7-
DIMETHOXYQUINAZOLINE
A1DI90.73
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID
A,B1C3E0.76
AK64-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-
b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
A3DJ60.7
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.74
PFE{4-[3-(6,7-DIETHOXY-QUINAZOLIN-
4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-
METHANOL
A,F1KZ80.71
HPMN-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-
1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-
4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE
A,B2C6E0.71
354N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-
6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-
L-GLUTAMIC ACID
A,B1P4R0.71
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE
A,B2NO30.75
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.7
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE
A1LY30.72
48B2-chloro-N-[4-({5-fluoro-2-[(4-
hydroxyphenyl)amino]pyrimidin-4-
yl}amino)phenyl]benzamide
A3H0Y0.71
138A,B,C,D1JKX0.7