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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00168217

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.72
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.73
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.74
DX36,7,7-trimethyl-7,8-dihydropteridine-
2,4-diamine
A,B,C,D3BMF0.7
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.72
BCP2-BROMO-6-CHLORO-PURINEA1M660.7
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.7
6GU6-chloroguanineA3FO40.73
6GU6-chloroguanineA3GOG0.73
6GU6-chloroguanineA3GER0.73
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.71
MXD6-PIPERIDIN-1-YLPYRIMIDINE-2,4-
DIAMINE 3-OXIDE
A,B3B6H0.73
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.75
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.77