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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02384265

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7PC2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-
5-PYRIDIN-2-YLPHENOL
A,B2OP00.73
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine
A,B3BLA0.74
IMNINDOMETHACINA2BXM0.72
IMNINDOMETHACINA3FO70.72
IMNINDOMETHACINA,B,C,D1Z9H0.72
IMNINDOMETHACINA2BXQ0.72
IMNINDOMETHACINA,B,C,D4COX0.72
IMNINDOMETHACINA2ALT0.72
IMNINDOMETHACINA2OTH0.72
IMNINDOMETHACINA,B2DM60.72
IMNINDOMETHACINA1S2A0.72
IMNINDOMETHACINA2ZB80.72
IMNINDOMETHACINA3HWZ0.72
IMNINDOMETHACINA2BXK0.72
EES3-CHLORO-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QGW0.73
25310,11-dimethoxy-4-methyldibenzo[c,f]-
2,7-naphthyridine-3,6-diamine
A2R7B0.72
9912-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2Q0.75
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.73
2CS3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-
5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-
2-YL]-2,2-DIMETHYLPROPANOIC ACID
A,C,D,E2Q7M0.71
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL
A,B2AOU0.84
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B2OP10.71
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B,C,D3FNE0.71
FLDBIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-
1,6-DIAMINE
A,B154D0.7
QUNQUINACRINEA,B1JQE0.89
2RLN-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN-
4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE-
4-CARBOXAMIDE
A2RL50.7
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX90.71
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX80.71
QUMQUINACRINE MUSTARDA,B1GXF0.79
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE
A2FVJ0.73
642(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-
4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-
1-carboxylic acid
A,B3EWJ0.71
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
A,B3EDZ0.72
615(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-
4-yl)methoxy]benzyl}cyclopropane-
1,2-dicarboxamide
A,B3E8R0.75
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL
A1HBJ0.7
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE
A1LY30.74
A4L9-[(5-(ACETYLAMINO)-6-{[(1S,4R)-
8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)-
5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]-
1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}-
6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM
A,B1XCS0.76
MTKMONTELUKASTA2NNI0.71
IM82-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1R)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
P2OYE0.72
IMS2-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1S)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
P2OYU0.72
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.75
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
A3FQV0.71
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
A3FQZ0.71
DD25-{[1-(2,3-dichlorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine
A3BL90.72
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.73
5AP5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-
2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-
4-AMINE
A,B1RWQ0.72
QQ2[(2-CHLORO-5-METHYLPHENYL){6-[(4-
{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO]ACETONITRILE
A,B,C,D2IW60.7
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium
A3GSY0.73
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.74
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.74
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H1O5E0.77
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
B1GJ70.77
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H,I1GJ40.77
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
A1GJ60.77
238A2PRH0.73
900N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide
A,B3B8Q0.71
LIC3-(2-CHLOROBENZYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA
A2GHM0.71
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE
A1O2T0.75
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.74
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.74
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.74
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
A,B2FV50.71
1346-FLUORO-2-[2-HYDROXY-3-(2-METHYL-
CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-
5-CARBOXAMIDINE
B1GJ90.73
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE
A1E660.72
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QAB0.71
2EA(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-
6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE
E2F7E0.7