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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02736229

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LG01-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-
1-ylmethyl)cyclopropyl)phenyl)-
3-(trifluoromethyl)-5,6-dihydro-
1H-pyrazolo[3,4-c]pyridin-7(4H)-
one
A3CS70.71
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BAC0.72
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BA90.72
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide
A,B2P2I0.71
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41VBB0.7
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41PO10.7
G6GN-{3-[(3-{4-[(4-methoxyphenyl)amino]-
1,3,5-triazin-2-yl}pyridin-2-yl)amino]-
4-methylphenyl}-4-[(4-methylpiperazin-
1-yl)methyl]benzamide
A,B3G6G0.7
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBE0.71
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBA0.71
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBD0.71
PQB[5-AMINO-1-(4-FLUOROPHENYL)-1H-
PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
A2BAQ0.72
PQB[5-AMINO-1-(4-FLUOROPHENYL)-1H-
PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
A2GFS0.72
4DE1-(4-METHOXYPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2D0.73
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA
A3FZS0.75
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA
A1KV20.75
4JZ1-[5-tert-butyl-2-(4-methylphenyl)-
1,2-dihydro-3H-pyrazol-3-ylidene]-
3-{3-[(pyridin-3-yloxy)methyl]-
1H-pyrazol-5-yl}urea
A3FZT0.71
PQA[5-AMINO-1-(4-FLUOROPHENYL)-1H-
PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
A2BAL0.74
BZCA1EFY0.72
877N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-
2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE
A,B2GMX0.74
GNFN~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-
N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-
L-ALANINAMIDE
A,B2F1G0.7
GG21-(4-METHOXYPHENYL)-7-OXO-6-[4-
(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-
TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-
3-CARBOXAMIDE
A2P160.72
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41PO20.7
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41VBC0.7
JK13-{4-[(phenylcarbamoyl)amino]-1H-
pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide
A3FI20.72
5FR4-({1-[3-(3-amino-3-oxopropyl)-
5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-
c]pyridin-6-yl}amino)-3-methoxy-
N-(1-methylpiperidin-4-yl)benzamide
A3DBF0.71