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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01245141

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
SMLPHENYL METHYL SULFONEA,I1D6W0.7
SMLPHENYL METHYL SULFONEA,I1D9I0.7
TSUPARA-TOLUENE SULFONATEA,B1WUW0.79
TSUPARA-TOLUENE SULFONATEA1B0D0.79
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.83
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.83
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.83
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.83
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.83
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.83
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.83
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.83
TLD4-methylbenzene-1,2-dithiolA2Z940.74
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.85
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.82
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.73
NDT2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-
1-OL
A,B1DFG0.7
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.73
WW7N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDEA1MUX0.7
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.72
HS7N-oxo-2-(phenylsulfonylamino)ethanamideA3F1A0.72
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.71
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.71
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.71
BPSA,B2DE40.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.78
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.78
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.78
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.78
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.71
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.71
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
BNSHYDROSULFONYLBENZENE11YYY0.72
BNSHYDROSULFONYLBENZENEA1MEM0.72
BNSHYDROSULFONYLBENZENEA,D,E1FH00.72
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
MAJindane-5-sulfonamideA2QOA0.82
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.74
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.75
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.7
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.76
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.76
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.72
TOSP-SULFINOTOLUENEH1ETT0.78
TOSP-SULFINOTOLUENEI4PAD0.78
TOSP-SULFINOTOLUENEA1EST0.78
TOSP-SULFINOTOLUENEC,G2CHA0.78
TOSP-SULFINOTOLUENEE1PPH0.78
PMSBENZYLSULFINIC ACIDB1PNM0.73
PMSBENZYLSULFINIC ACIDA,B1SH70.73
PMSBENZYLSULFINIC ACIDB,C1BB00.73
PMSBENZYLSULFINIC ACIDA,B1S2N0.73
PMSBENZYLSULFINIC ACIDA,B1WB80.73
PMSBENZYLSULFINIC ACIDA,B,C3CE40.73
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.73
PMSBENZYLSULFINIC ACIDA3H180.73
PMSBENZYLSULFINIC ACIDA3H170.73
PMSBENZYLSULFINIC ACIDA2CBG0.73
PMSBENZYLSULFINIC ACIDA1SUP0.73
PMSBENZYLSULFINIC ACIDA,B1V6C0.73
PMSBENZYLSULFINIC ACIDA,B1WPR0.73
PMSBENZYLSULFINIC ACIDA,B1EQ90.73
PMSBENZYLSULFINIC ACIDA,B1AUR0.73
PMSBENZYLSULFINIC ACIDA1KLT0.73
PMSBENZYLSULFINIC ACIDB,C1CA80.73
PMSBENZYLSULFINIC ACIDA2GKO0.73
PMSBENZYLSULFINIC ACIDB,C,D1BA80.73
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.75
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.75
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.73