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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01089810

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.74
TOPTRIMETHOPRIMA1DG50.71
TOPTRIMETHOPRIMA,B,C,D,E,F2W9S0.71
TOPTRIMETHOPRIMA,B,C,D2BFM0.71
TOPTRIMETHOPRIMA2W9G0.71
TOPTRIMETHOPRIMA,B,C,D,E,F,
G,H
3FL90.71
TOPTRIMETHOPRIMA1DYR0.71
TOPTRIMETHOPRIMA2W9H0.71
SDZ1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-
PROPYL]-4-(2-PYRIDYL)-PIPERAZINE
11HRV0.76
DRP2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-
MONOPHOSPHATE
A,B1JES0.79
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.72
7PC2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-
5-PYRIDIN-2-YLPHENOL
A,B2OP00.74
7213-butoxy-1-(2,2-diphosphonoethyl)pyridiniumA,B3DYH0.71
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D1HO40.71
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D,E,F,
G,H
3F4N0.71
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D1SZR0.71
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.77
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID
A1M0P0.73
PY7PYRIDIN-4-YLMETHANOLA2EUR0.74
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHS0.72
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A1RFT0.73
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A,B2Z9V0.73
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.74
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.74
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
A1U710.72
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
A1DLR0.72
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B,C,D2W0D0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A3AYK0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B1JIZ0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A4AYK0.71
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.72
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.71
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE
A2FVJ0.73
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.7
0011-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-
PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4-
PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-
BUTYL ESTER
A,B,D1J4R0.71
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE
A1WBW0.74
2823-methoxypyridineX2RBZ0.75
SROSEROTONINA,B3BRN0.7
SROSEROTONINA2QEH0.7
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.72
PCH3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-
4-YLOXY)BUTAN-2-OL
I1E820.78
M98(S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-
2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-
HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-
OXIDE
A,B,C,D2FM00.72
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B2OP10.75
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B,C,D3FNE0.75
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.76
H863-(decyloxy)-5-(3,5-difluorophenyl)-
1-(2,2-diphosphonoethyl)pyridinium
A,B2Z780.75
7221-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridiniumA,B3EGT0.74
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium
A3GSY0.77
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.72
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.72
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B3GZC0.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A2GJ40.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A2GM90.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B2IEG0.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B2IEI0.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,E,F3FZ80.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,E,F1PMO0.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,E,F3FSL0.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A2CFB0.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D3GZD0.71
PIX4-(3-{[5-(trifluoromethyl)pyridin-
2-yl]oxy}benzyl)piperidine-1-carboxylic acid
A,B2WAP0.79
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDU0.73
H1L(2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-
2-YL]OXY}PHENOXY)PROPANOIC ACID
A,B,C1UYS0.72
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER
A1ME30.7
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.73
S031-{4-[4-AMINO-5-(3-METHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-
4-OL
A,B1YOL0.71
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDV0.72
PYU2-(1H-pyrrol-1-ylcarbonyl)benzene-
1,3,5-triol
A,B3EKO0.7
C4F3-(3-methoxybenzyl)-1H-pyrrolo[2,3-
b]pyridine
A,B3C4F0.72
7141-(2,2-diphosphonoethyl)-3-(octyloxy)pyridiniumA,B3EFQ0.75
DH12,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINEA2FZH0.71
M99(R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-
2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-
HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-
OXIDE
A,B,C,D2FM50.72
PYF3-PYRIDINYLCARBINOLA,B1R160.76
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEU0.74
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEV0.74
BT33-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-
BENZYL]-2-4-(2-PYRROLIDIN-1-YL-
ETHOXY)-PHENYL] -BENZO[B]THIOPHEN-
6-OL
B,H1D3P0.71
KIN1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-
[3-(TRIFLUOROMETHYL)PHENYL]UREA
A2HZN0.73
LZK6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-
D]PYRIMIDINE-2,7-DIAMINE
A,B2V590.72
BERBERBERINEA3D6Y0.73
BERBERBERINEA,B,D,E1JUM0.73
BERBERBERINEA,B,D,E3BTI0.73
BERBERBERINEA2QVD0.73
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.72
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.72
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.72
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.7