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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00433377

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.74
MAJindane-5-sulfonamideA2QOA0.73
BNSHYDROSULFONYLBENZENE11YYY0.71
BNSHYDROSULFONYLBENZENEA1MEM0.71
BNSHYDROSULFONYLBENZENEA,D,E1FH00.71
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.71
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.72
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.72
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
FPRPROPYLBENZENEC1RHK0.77
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.74
I4BISOBUTYLBENZENEA184L0.75
MBNTOLUENEA,B3D7O0.74
MBNTOLUENEA,B1R1X0.74
MBNTOLUENEA,B1JLX0.74
MBNTOLUENEA,B,C,D3D170.74
MBNTOLUENEA,B2VRL0.74
MBNTOLUENEA,I2Z3E0.74
MBNTOLUENEA,B1YZI0.74
MBNTOLUENEA,B2DN10.74
MBNTOLUENEA,B3EN10.74
BPSA,B2DE40.76
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.78
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.73
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.73
N4BN-BUTYLBENZENEA186L0.77
BDBA,B1KE30.71
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.76
B69A2ZCR0.77
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.79
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.79
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.73