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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02247488

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.72
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
B69A2ZCR0.76
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.78
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.78
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.77
BDBA,B1KE30.72
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.75
I4BISOBUTYLBENZENEA184L0.74
DENINDENEA183L0.7
BNSHYDROSULFONYLBENZENE11YYY0.8
BNSHYDROSULFONYLBENZENEA1MEM0.8
BNSHYDROSULFONYLBENZENEA,D,E1FH00.8
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.8
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.83
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.7
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.72
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.71
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.72
BPSA,B2DE40.77
FPRPROPYLBENZENEC1RHK0.76
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.76