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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012008

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.86
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.86
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
N4BN-BUTYLBENZENEA186L0.71
ESXBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5S0.71
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.8
TLD4-methylbenzene-1,2-dithiolA2Z940.71
PVS(ethenylsulfonyl)benzeneA3BLU0.71
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.74
FPRPROPYLBENZENEC1RHK0.71
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.71