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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00207586

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IHX3-[3-(4-methylpiperazin-1-yl)-7-
(trifluoromethyl)quinoxalin-5-yl]phenol
A,B3F660.73
GK14-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-
7-yl}-1,3-thiazole-2-carbaldehyde
A2ZAZ0.72
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.75
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.75
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.76
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.76
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.76
TMQTRIMETREXATEA,B,C,D3CLB0.7
TMQTRIMETREXATEA1BZF0.7
TMQTRIMETREXATEA,B,C,D3HBB0.7
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.76
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.76
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3G0.7
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3E0.7
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
H,I1O2G0.7
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
B1O5A0.7
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3F0.7
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.77
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID
A,B1C3E0.73
BMSA,B1DKF0.7
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA
H2FLR0.73
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.71
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL
A,B2AOU0.75
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.71
354N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-
6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-
L-GLUTAMIC ACID
A,B1P4R0.73
QUNQUINACRINEA,B1JQE0.71
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEE2ERZ0.7
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEA,B2ETK0.7
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL
A1HBJ0.73
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
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE
A1GI60.71
T985-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-
2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-
1H-PYRROLE-2-CARBONITRILE
A,B1ZUC0.73