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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01671054

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VX2N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-
b]pyridazin-6-amine
A3BGQ0.83
501N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-
5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-
2,7-DIAMINE
A,B1ZGV0.75
DZO3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-
a]pyrimidin-5-amine
A3E7V0.71
L033-(4-CHLOROPHENYL)-5-(METHYLTHIO)-
4H-1,2,4-TRIAZOLE
B,I1WBG0.71
P452-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVK0.7
SCXN-((2-aminopyrimidin-5-yl)methyl)-
5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-
a]pyrimidin-7-amine
A2R3M0.72
448(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-
5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-
A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-
TRIFLUOROPHENYL)BUTAN-2-AMINE
A,B,S2QOE0.74
KIQ(1S,6R)-3-{[3-(TRIFLUOROMETHYL)-
5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-
A]PYRAZIN-7(8H)-YL]CARBONYL}-6-
(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-
3-EN-1-AMINE
B2I780.71
715(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-
5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-
A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B1X700.73
417(1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-
5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-
A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE
A,B2P8S0.81