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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01230436

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GK14-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-
7-yl}-1,3-thiazole-2-carbaldehyde
A2ZAZ0.72
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL
A1HBJ0.76
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.72
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.72
THATACRINEA,B2AOW0.71
THATACRINEA,B,C,D,E,F1MX10.71
THATACRINEA,B2AOX0.71
THATACRINEA1ACJ0.71
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.74
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3G0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3E0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
H,I1O2G0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
B1O5A0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3F0.74
IHX3-[3-(4-methylpiperazin-1-yl)-7-
(trifluoromethyl)quinoxalin-5-yl]phenol
A,B3F660.74
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.85
T985-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-
2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-
1H-PYRROLE-2-CARBONITRILE
A,B1ZUC0.71
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA
H2FLR0.72
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3I0.71
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3H0.71
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.74
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.72
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T
2VUM0.72
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.72
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
A,B3EDZ0.71
615(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-
4-yl)methoxy]benzyl}cyclopropane-
1,2-dicarboxamide
A,B3E8R0.71
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.9
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.9
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.9
AEJ(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-
A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-
1,2,3,4-TETRAHYDROISOQUINOLIN-6-
OL
A,B,C,D1XQC0.72
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.73
QUNQUINACRINEA,B1JQE0.73
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.76
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
A,B2IOK0.72
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.74
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE
A1GI60.77
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.9
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.9
MQ15-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINEA,B1M790.72
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.74
ASEN-ACETYL SEROTONINA1NAS0.72
25310,11-dimethoxy-4-methyldibenzo[c,f]-
2,7-naphthyridine-3,6-diamine
A2R7B0.71
BERBERBERINEA3D6Y0.72
BERBERBERINEA,B,D,E1JUM0.72
BERBERBERINEA,B,D,E3BTI0.72
BERBERBERINEA2QVD0.72
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID
A1M0P0.71
8067-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-
4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-
2-CARBOXIMIDAMID
A1QB90.71
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID
A,B1PBQ0.71
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium
A3GSY0.77
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE
A2FVJ0.71
QNDQUINALDIC ACIDA,B1IDA0.73
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.73
238A2PRH0.72
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL
A,B2AOU0.76
BRFA1UUO0.76
KN14-[1-allyl-7-(trifluoromethyl)-
1H-indazol-3-yl]benzene-1,3-diol
A,B2QZO0.7
PRLPROFLAVINH,I1BCU0.71
PRLPROFLAVINA,B,D,E1QVT0.71
PRLPROFLAVINA,B2KD40.71
PRLPROFLAVINA1QVU0.71
3ID3H-INDOLE-5,6-DIOLA1F9B0.73
3ID3H-INDOLE-5,6-DIOLA1OYO0.73
EES3-CHLORO-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QGW0.71
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.7
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H1O5E0.72
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
B1GJ70.72
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H,I1GJ40.72
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
A1GJ60.72
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B2OP10.7
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B,C,D3FNE0.7
4HT4-HYDROXYTRYPTOPHANH,L1RU90.71
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.71
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.71
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.71
SIESULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)-
1H-INDOL-6-YL ESTER
A2BRP0.77
TTG2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-
8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-
INDOLIZINO[1,2-B]QUINOLIN-7-YL)-
2-HYDROXY-BUTYRIC ACID
A,B1RRJ0.71
TTG2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-
8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-
INDOLIZINO[1,2-B]QUINOLIN-7-YL)-
2-HYDROXY-BUTYRIC ACID
A,C,D1K4T0.71
TTG2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-
8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-
INDOLIZINO[1,2-B]QUINOLIN-7-YL)-
2-HYDROXY-BUTYRIC ACID
A,C1RR80.71
SROSEROTONINA,B3BRN0.74
SROSEROTONINA2QEH0.74
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.72
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.76
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QAB0.76
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.71