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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02625613

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.78
8022-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-FLUOROBENZENOLATE		A1O350.72
C122-(1-AMINO-2-HYDROXYPROPYL)-4-(4-
HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-
IMIDAZOL-5-OLATE		A2FZU0.79
RUN2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-
L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-
(2-METHYLPROPIONYL)IMIDAZOLE		B1HPS0.71
43P4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-
2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE		A1YC40.8
B354-[(1S)-1-(3-fluoro-4-methoxyphenyl)-
2-(2-methoxy-5-nitrophenyl)ethyl]-
1H-imidazol-2-amine		A,B,C3H0B0.75
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		A1O2S0.74
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		B1P570.74
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI00.76
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GI80.76
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I1GHW0.76
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI10.76
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI30.76
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I,L1GHX0.76
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE		A,B,C,D2BTJ0.81
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE		A,B,C,D2VVJ0.81
IBB5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE		A109D0.73
PGI(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-(2-PHENYLETHYL)-1,5,6,7,8,8A-
HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-
6,7,8-TRIOL		A,B2CET0.74
PGI(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-(2-PHENYLETHYL)-1,5,6,7,8,8A-
HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-
6,7,8-TRIOL		A,B2CER0.74
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O380.74
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O370.74
5OB5-METHOXYBENZIMIDAZOLEA1JHP0.7
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE		A2ORP0.7
C4F3-(3-methoxybenzyl)-1H-pyrrolo[2,3-
b]pyridine		A,B3C4F0.71
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A,B2PSJ0.72
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A2F8P0.72
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A1S360.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O340.74
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O310.74
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O330.74
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O320.74
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI40.76
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI20.76
RC7{(2R)-4-(4-HYDROXYBENZYL)-2-[2-
(1H-IMIDAZOL-4-YL)ETHYL]-5-OXO-
2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETALDEHYDE		A,B,C,D2GW40.8
FR21-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE		A1NDW0.71
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O390.72
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3D0.72
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3C0.72
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3A0.72
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3B0.72
CX1N-[(benzyloxy)carbonyl]-L-histidyl-
N-methyl-L-phenylalanyl-L-tyrosine		B3C720.76
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.7
SROSEROTONINA,B3BRN0.7
SROSEROTONINA2QEH0.7
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL		X2A0C0.75
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol		A,B2QSE0.78
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME		A,B2FB80.72
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL		A2BDJ0.71
MSR4-(1H-IMIDAZOL-1-YL)PHENOLA2ORQ0.75
C1BH2B7D0.71
RO23-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-
1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-
BENZIMIDAZOL-2-YL]-PHENOL		A303D0.7
RO23-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-
1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-
BENZIMIDAZOL-2-YL]-PHENOL		A302D0.7
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.7
1722-AMINO-5-HYDROXY-BENZIMIDAZOLEA1FV90.71
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.75
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.75
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.75
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.75
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.75
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.75
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.75
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.75
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.75
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.75
VGB(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-
2-(2-phenylethyl)-8-(propanoylamino)-
5,6,7,8-tetrahydro-1H-imidazo[1,2-
a]pyridin-4-ium		A,B2WB50.72
1212-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I,L1GHY0.76
E964-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-
5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-
BENZENE]		A453D0.72
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A2OC90.72
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A1B8O0.72
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A,B,C1G2O0.72
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A,B,C,D,E,F1NW40.72
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A1RT90.72
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A,B2FF10.72
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A,B2FF20.72
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A2OC40.72
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		E2Q7O0.72
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A1RR60.72
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A,B3B9G0.72
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		E1PF70.72
IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-
9-YL)-D-RIBITOL		A2ON60.72
SU9(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-
5-METHOXY-1H-INDOL-2(3H)-ONE		A1PF80.72
GSZN-[(5R,6R,7R,8S)-6,7-DIHYDROXY-
5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-
1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-
A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE		A,B2J620.72
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GJB0.75
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I1GJ50.75
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GJC0.75
3342-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3K0.7
3342-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3J0.7
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL		A2HK50.72
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		B1GI90.72
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		A1GI50.72