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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00135758

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B2HH90.7
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1SBR0.7
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1IG00.7
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1IG30.7
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.72
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.72
CK7[4-(2-AMINO-4-METHYL-THIAZOL-5-
YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-
AMINE
A1PXO0.71
CK7[4-(2-AMINO-4-METHYL-THIAZOL-5-
YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-
AMINE
A,C2C5P0.71
L224-(2-amino-1,3-thiazol-4-yl)pyrimidin-
2-amine
A,B2W700.75
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A,C2C5O0.74
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A1PXJ0.74
CK3N-[4-(2,4-DIMETHYL-1,3-THIAZOL-
5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE
A1PXK0.74