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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02662451

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.73
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.73
FPRPROPYLBENZENEC1RHK0.75
BDBA,B1KE30.74
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.71
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.71
SMLPHENYL METHYL SULFONEA,I1D6W0.72
SMLPHENYL METHYL SULFONEA,I1D9I0.72
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
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
NPYNAPHTHALENEA,B1O7G0.72
PXYPARA-XYLENEA187L0.73
PXYPARA-XYLENEA225L0.73
PCB4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-
TETRACHLOROBIPHENYL
A1UTR0.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.7
I4BISOBUTYLBENZENEA184L0.75
BPSA,B2DE40.76
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.71
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.71
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.71
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.82
TSUPARA-TOLUENE SULFONATEA,B1WUW0.72
TSUPARA-TOLUENE SULFONATEA1B0D0.72
PYLPHENYLETHANEC1B070.75
PYLPHENYLETHANEA,B2VRM0.75
PYLPHENYLETHANEA1NHB0.75
TLD4-methylbenzene-1,2-dithiolA2Z940.8
N4BN-BUTYLBENZENEA186L0.75
TOSP-SULFINOTOLUENEH1ETT0.73
TOSP-SULFINOTOLUENEI4PAD0.73
TOSP-SULFINOTOLUENEA1EST0.73
TOSP-SULFINOTOLUENEC,G2CHA0.73
TOSP-SULFINOTOLUENEE1PPH0.73
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.71
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.71
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.73
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.78
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.73
PVS(ethenylsulfonyl)benzeneA3BLU0.71