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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02816027

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
QUNQUINACRINEA,B1JQE0.7
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.88
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.88
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.88
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE
A1GI60.75
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.8
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.75
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.75
THATACRINEA,B2AOW0.71
THATACRINEA,B,C,D,E,F1MX10.71
THATACRINEA,B2AOX0.71
THATACRINEA1ACJ0.71
EES3-CHLORO-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QGW0.73
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.88
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.88
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID
A1M0P0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B3GZC0.7
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A2GJ40.7
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A2GM90.7
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B2IEG0.7
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B2IEI0.7
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,E,F3FZ80.7
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,E,F1PMO0.7
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,E,F3FSL0.7
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A2CFB0.7
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D3GZD0.7
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QAB0.77
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.71
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID
A,B1PBQ0.74
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL
A,B2AOU0.73
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.71
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.71
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A1RFT0.71
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A,B2Z9V0.71
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.71
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL
A1HBJ0.72
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.83
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.8
BRFA1UUO0.71
0AF7-hydroxy-L-tryptophanL1MAE0.7
0AF7-hydroxy-L-tryptophanL1MAF0.7
SROSEROTONINA,B3BRN0.73
SROSEROTONINA2QEH0.73
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.87
QNDQUINALDIC ACIDA,B1IDA0.78