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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01279718

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
T121-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-
1H-BENZIMIDAZOL-5-YL PIVALATE
A,B,C,D2NRU0.75
9502-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2O0.72
PU68-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-9H-
A1UY90.71
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
B1O3P0.72
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2I0.72
9741-[2-[5-[AMINO(IMINO)METHYL]-2-
HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-
1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-
4-YL]PIPERIDINE-3-CARBOXYLIC ACID
A1QB10.7
HPMN-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-
1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-
4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE
A,B2C6E0.72
E896-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-
1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE
A,D1Y5X0.71
BLZ5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-
1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-
2-THIOPHENECARBOXAMIDE
A,C2I400.72
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2K0.73
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2J0.73
342(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-
3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE
A2ORT0.71
TNDN-1,2,3,4-TETRAHYDRONAPHTH-1-YL-
2'-[3,5-DIMETHOXYBENZAMIDO]-2'-
DEOXY-ADENOSINE
A,B,C,D,E,F1I330.71
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE
A1UYM0.71
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE
A1UY60.71
L2GN-(4-{1-[4-(4-ACETYLPIPERAZIN-1-
YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-
2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-
2-CARBOXAMIDE
A,B2C0O0.71
35FN-{3-[5-(1H-1,2,4-triazol-3-yl)-
1H-indazol-3-yl]phenyl}furan-2-
carboxamide
A,B3E7O0.74
AQZN-(3-{[7-METHOXY-6-(2-PYRROLIDIN-
1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-
4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
A2BAK0.71
L1GN-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-
1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-
1-METHYL-1H-INDOLE-2-CARBOXAMIDE
A,B2C0I0.71
AM0N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-
1,3,5-triazin-2-yl}-1H-benzimidazol-
2-amine
A3BYM0.71
2764-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-
3H-benzimidazol-5-yl]oxy]-N-methyl-
pyridine-2-carboxamide
A2QU50.71
447N-(4-{[6-methoxy-7-(3-morpholin-
4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide
A,B2VRX0.72
NH72-[(S)-(4-chlorophenyl)(hydroxy)(1-
methyl-1H-imidazol-5-yl)methyl]-
N-morpholin-4-yl-7-phenyl-1-benzofuran-
5-carboxamide
A,B2ZIR0.75
T2A5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-
f][1,2,4]triazin-2-amine
A,C3EOC0.71
NMDN-NAPHTHALEN-1-YLMETHYL-2'-[3,5-
DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE
A,B,C,D,E,F1I320.71
3122-(5-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-2'-METHOXY-6-
OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
A1O2Z0.71
6882-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-
6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-
YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID
A1QBN0.74
090N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-
C] QUINAZOLIN-5-YL)NICOTINAMIDE
A2CHX0.7
DRJ(2R)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4J0.74
DRH(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4P0.74
DRH(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4Z0.74
SU9(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-
5-METHOXY-1H-INDOL-2(3H)-ONE
A1PF80.73
U66(20S)-19,20,22,23-TETRAHYDRO-19-
OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-
6,10-METHENOBENZ[D]IMIDAZO[4,3-
L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-
9-CARBONITRILE
B1LD70.72
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A,B403D0.7
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A129D0.7
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A,B130D0.7
HT12'-(4-ETHOXYPHENYL)-5-(4-METHYL-
1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
A3F8C0.7
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE
A2ORO0.74
MBC2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
A2I2I0.73
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
H1O5D0.71
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
H1O5F0.71
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
B1O5C0.71
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
H,I1O5G0.71
CR92-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-
1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
A1O2R0.71
1PMmethyl (3S)-3-{2-[(1,3-benzodioxol-
5-ylmethyl)amino]-2-oxoethyl}-4-
[2-(1H-imidazol-1-yl)pyrimidin-
4-yl]piperazine-1-carboxylate
A1DD70.72
BZCA1EFY0.73
U49(20S)-19,20,21,22-TETRAHYDRO-19-
OXO-5H-18,20-ETHANO-12,14-ETHENO-
6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-
K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-
9-CARBONITRILE
A,B1LD80.7
FRL1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-
1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1WXZ0.72
3HT5-[1-(4-methoxyphenyl)-1H-benzimidazol-
6-yl]-1,3,4-oxadiazole-2(3H)-thione
A,B3F880.72
E97[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-
PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-
2-YL}-PHENOXY)-PROPYL]-DIMETHYL-
AMINE
A1FTD0.7
L3GN-(4-{4-AMINO-1-[1-(TETRAHYDRO-
2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-
2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-
2-CARBOXAMIDE
A,B2C0T0.72
R64(1-METHYL-1H-IMIDAZOL-2-YL)-(3-
METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-
AMINO]-PROPOXY}-BENZOFURAN-2-YL)-
METHANONE
A,B,C1IYL0.76