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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021632

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I4BISOBUTYLBENZENEA184L0.72
NPYNAPHTHALENEA,B1O7G0.73
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.87
NTSNAPHTHALENE TRISULFONATEA1RML0.85
OBPA,B2DE30.7
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.89
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.89
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.89
FPRPROPYLBENZENEC1RHK0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.77
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.9
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.9
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.75
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.75
BPSA,B2DE40.93
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.77
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.77
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.77
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.77
BDBA,B1KE30.8
NDT2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-
1-OL
A,B1DFG0.71
B69A2ZCR0.78
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.79
MAJindane-5-sulfonamideA2QOA0.81
N4BN-BUTYLBENZENEA186L0.72
BNSHYDROSULFONYLBENZENE11YYY0.75
BNSHYDROSULFONYLBENZENEA1MEM0.75
BNSHYDROSULFONYLBENZENEA,D,E1FH00.75
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.75