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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02814219

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KS41-cyclobutyl-3-(3,4-dimethoxyphenyl)-
1H-pyrazolo[3,4-d]pyrimidin-4-amine
A,B3EN50.7
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
A3FZT0.72
W012,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-
PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-
5-YL]-PHENOL
1,41QJU0.7
FPTN-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-
N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA
A1DTQ0.71
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41VBB0.84
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41PO10.84
PZF(3R,4S)-1-[6-(6-METHOXYPYRIDIN-
3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-
3-AMINE
A,B2QJR0.71
JEN3-METHOXY-6-[4-(3-METHYLPHENYL)-
1-PIPERAZINYL]PYRIDAZINE
11R090.86
JEN3-METHOXY-6-[4-(3-METHYLPHENYL)-
1-PIPERAZINYL]PYRIDAZINE
12HWF0.86
PC01-[2-(4-ETHOXY-3-FLUOROPYRIDIN-
2-YL)ETHYL]-3-(5-METHYLPYRIDIN-
2-YL)THIOUREA
A2HNZ0.72
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA
A3FZS0.71
B961-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-
3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-
NAPHTHALEN-1-YL]-UREA
A1KV20.71
R03ALLYL-{6-[3-(4-BROMO-PHENYL)-1-
METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)-
N-METHYLAMINE
A,B,C1H390.71
DD15-{[1-(2-fluorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine
A3BL70.73
L5G7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-
b]pyridazin-3-yl)methoxy]quinoline
A3CD80.74
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME
A,B2FB80.7
PO5(2S)-1-(dimethylamino)-3-(4-{[4-
(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-
3-yl)pyrimidin-2-yl]amino}phenoxy)propan-
2-ol
A3EID0.72
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41PO20.85
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41VBC0.85
5IG6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-
2H-1,4-BENZOXAZIN-3(4H)-ONE
A,B2G1Y0.7
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBE0.84
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBA0.84
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBD0.84
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.72
SDZ1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-
PROPYL]-4-(2-PYRIDYL)-PIPERAZINE
11HRV0.73
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE
A1LY30.7
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.71