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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021564

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TLD4-methylbenzene-1,2-dithiolA2Z940.75
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.7
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.7
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.7
NPYNAPHTHALENEA,B1O7G0.74
FPRPROPYLBENZENEC1RHK0.75
BDBA,B1KE30.74
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.74
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
PVS(ethenylsulfonyl)benzeneA3BLU0.75
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.8
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.85
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.74
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.74
BPSA,B2DE40.76
I4BISOBUTYLBENZENEA184L0.73
PMSBENZYLSULFINIC ACIDB1PNM0.72
PMSBENZYLSULFINIC ACIDA,B1SH70.72
PMSBENZYLSULFINIC ACIDB,C1BB00.72
PMSBENZYLSULFINIC ACIDA,B1S2N0.72
PMSBENZYLSULFINIC ACIDA,B1WB80.72
PMSBENZYLSULFINIC ACIDA,B,C3CE40.72
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.72
PMSBENZYLSULFINIC ACIDA3H180.72
PMSBENZYLSULFINIC ACIDA3H170.72
PMSBENZYLSULFINIC ACIDA2CBG0.72
PMSBENZYLSULFINIC ACIDA1SUP0.72
PMSBENZYLSULFINIC ACIDA,B1V6C0.72
PMSBENZYLSULFINIC ACIDA,B1WPR0.72
PMSBENZYLSULFINIC ACIDA,B1EQ90.72
PMSBENZYLSULFINIC ACIDA,B1AUR0.72
PMSBENZYLSULFINIC ACIDA1KLT0.72
PMSBENZYLSULFINIC ACIDB,C1CA80.72
PMSBENZYLSULFINIC ACIDA2GKO0.72
PMSBENZYLSULFINIC ACIDB,C,D1BA80.72
SMLPHENYL METHYL SULFONEA,I1D6W0.71
SMLPHENYL METHYL SULFONEA,I1D9I0.71
PYLPHENYLETHANEC1B070.75
PYLPHENYLETHANEA,B2VRM0.75
PYLPHENYLETHANEA1NHB0.75
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.78
N4BN-BUTYLBENZENEA186L0.75
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.73
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.73
TOSP-SULFINOTOLUENEH1ETT0.7
TOSP-SULFINOTOLUENEI4PAD0.7
TOSP-SULFINOTOLUENEA1EST0.7
TOSP-SULFINOTOLUENEC,G2CHA0.7
TOSP-SULFINOTOLUENEE1PPH0.7
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73