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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03459889

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.89
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.89
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.7
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.79
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.79
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.79
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.79
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.72
BDBA,B1KE30.72
FPRPROPYLBENZENEC1RHK0.78
BPSA,B2DE40.88
BNSHYDROSULFONYLBENZENE11YYY0.8
BNSHYDROSULFONYLBENZENEA1MEM0.8
BNSHYDROSULFONYLBENZENEA,D,E1FH00.8
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.8
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.8
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.71
MAJindane-5-sulfonamideA2QOA0.8
I4BISOBUTYLBENZENEA184L0.76
B69A2ZCR0.74
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.78
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.78
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.78
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.78
DENINDENEA183L0.71
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.71