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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02664725

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.73
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.73
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.79
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.79
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.78
TSUPARA-TOLUENE SULFONATEA,B1WUW0.76
TSUPARA-TOLUENE SULFONATEA1B0D0.76
TPRTOSYL-D-PROLINEA1F4E0.7
DPKDEPRENYLA,B2BYB0.71
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide
A,B3DA20.74
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.76
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.76
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.76
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.76
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.76
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.76
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.76
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.76
NDT2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-
1-OL
A,B1DFG0.77
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
TOSP-SULFINOTOLUENEH1ETT0.75
TOSP-SULFINOTOLUENEI4PAD0.75
TOSP-SULFINOTOLUENEA1EST0.75
TOSP-SULFINOTOLUENEC,G2CHA0.75
TOSP-SULFINOTOLUENEE1PPH0.75
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
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.8
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.76
MAJindane-5-sulfonamideA2QOA0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.74
BPSA,B2DE40.7
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.72