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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01660045

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.84
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.7
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.7
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.73
2HT3-methylbenzonitrileA,B3F880.72
FPRPROPYLBENZENEC1RHK0.72
PVS(ethenylsulfonyl)benzeneA3BLU0.72
TLD4-methylbenzene-1,2-dithiolA2Z940.77
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
MBNTOLUENEA,B3D7O0.71
MBNTOLUENEA,B1R1X0.71
MBNTOLUENEA,B1JLX0.71
MBNTOLUENEA,B,C,D3D170.71
MBNTOLUENEA,B2VRL0.71
MBNTOLUENEA,I2Z3E0.71
MBNTOLUENEA,B1YZI0.71
MBNTOLUENEA,B2DN10.71
MBNTOLUENEA,B3EN10.71
SMLPHENYL METHYL SULFONEA,I1D6W0.71
SMLPHENYL METHYL SULFONEA,I1D9I0.71
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.7
N4BN-BUTYLBENZENEA186L0.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.71
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.73