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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02093064

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3BA7-amino-2-tert-butyl-4-{[2-(1H-
imidazol-4-yl)ethyl]amino}pyrido[2,3-
d]pyrimidine-6-carboxamide
A3BAA0.7
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
A,B2BDF0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.76
3MP3-METHYLPYRIDINEA1EUB0.7
3MP3-METHYLPYRIDINEA1BM60.7
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.81
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.75
2755-amino-1,2-dimethylpyridiniumX2RBW0.81
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.73
2AP2-AMINOPYRIDINEA1AEO0.82
1SQISOQUINOLIN-1-AMINEA2OHK0.75
2862-ethenyl-1-methylpyridiniumX2RC20.75
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.73
3AP3-AMINOPYRIDINEA1AEF0.81
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2IZT0.74
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2CDZ0.74
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A,B2F570.74
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.75
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.72
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.72
4AP4-AMINOPYRIDINEA1AEG0.75
26DPYRIDINE-2,6-DIAMINEA2ANZ0.76