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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01666949

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EES3-CHLORO-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QGW0.75
7PC2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-
5-PYRIDIN-2-YLPHENOL
A,B2OP00.73
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.84
IHX3-[3-(4-methylpiperazin-1-yl)-7-
(trifluoromethyl)quinoxalin-5-yl]phenol
A,B3F660.75
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA
H2FLR0.72
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE
A1E660.71
XMK1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE
A1IQM0.71
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL
A,B2AOU0.92
QUMQUINACRINE MUSTARDA,B1GXF0.71
VAR9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-
c]pyrimidin-4-ol
A,B,C,D3BHV0.7
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H1O5E0.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
B1GJ70.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H,I1GJ40.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
A1GJ60.71
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.76
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QAB0.7
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B2OP10.73
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B,C,D3FNE0.73
DEQDEQUALINIUMA,B,D,E1JT60.7
DEQDEQUALINIUMA,B,D,E3BR20.7
DEQDEQUALINIUMA1OYD0.7
DEQDEQUALINIUMA,B,D,E3BT90.7
DEQDEQUALINIUMA,B,D,E3BTJ0.7
DEQDEQUALINIUMA,B,D,E3BR10.7
QUNQUINACRINEA,B1JQE0.81
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE
A2FVJ0.71
SROSEROTONINA,B3BRN0.72
SROSEROTONINA2QEH0.72
Q22(4aS)-5-[(2,4-diaminopteridin-6-
yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-
8-ol
A3D800.77
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium
A3GSY0.73
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.75
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.75
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.75
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.72
LIC3-(2-CHLOROBENZYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA
A2GHM0.71
48B2-chloro-N-[4-({5-fluoro-2-[(4-
hydroxyphenyl)amino]pyrimidin-4-
yl}amino)phenyl]benzamide
A3H0Y0.71
R94N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-
1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-
3-YL)ISONICOTINAMIDE
A1XH60.7
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.75
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.75