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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02283142

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.71
DENINDENEA183L0.73
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.71
I4BISOBUTYLBENZENEA184L0.78
B69A2ZCR0.82
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.76
BDBA,B1KE30.77
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.77
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
FPRPROPYLBENZENEC1RHK0.78
BPSA,B2DE40.81
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.7
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.83
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.76
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.82
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.82
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.74
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.74
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.74
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.74
BNSHYDROSULFONYLBENZENE11YYY0.74
BNSHYDROSULFONYLBENZENEA1MEM0.74
BNSHYDROSULFONYLBENZENEA,D,E1FH00.74
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.74
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.74
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.73