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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02247790

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.78
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.78
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.78
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
TSUPARA-TOLUENE SULFONATEA,B1WUW0.79
TSUPARA-TOLUENE SULFONATEA1B0D0.79
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.81
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.81
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.81
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.81
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
MAJindane-5-sulfonamideA2QOA0.89
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.76
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.8
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.8
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.8
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.8
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.8
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.8
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.8
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.8
TLD4-methylbenzene-1,2-dithiolA2Z940.74
BNSHYDROSULFONYLBENZENE11YYY0.71
BNSHYDROSULFONYLBENZENEA1MEM0.71
BNSHYDROSULFONYLBENZENEA,D,E1FH00.71
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.71
PMSBENZYLSULFINIC ACIDB1PNM0.71
PMSBENZYLSULFINIC ACIDA,B1SH70.71
PMSBENZYLSULFINIC ACIDB,C1BB00.71
PMSBENZYLSULFINIC ACIDA,B1S2N0.71
PMSBENZYLSULFINIC ACIDA,B1WB80.71
PMSBENZYLSULFINIC ACIDA,B,C3CE40.71
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.71
PMSBENZYLSULFINIC ACIDA3H180.71
PMSBENZYLSULFINIC ACIDA3H170.71
PMSBENZYLSULFINIC ACIDA2CBG0.71
PMSBENZYLSULFINIC ACIDA1SUP0.71
PMSBENZYLSULFINIC ACIDA,B1V6C0.71
PMSBENZYLSULFINIC ACIDA,B1WPR0.71
PMSBENZYLSULFINIC ACIDA,B1EQ90.71
PMSBENZYLSULFINIC ACIDA,B1AUR0.71
PMSBENZYLSULFINIC ACIDA1KLT0.71
PMSBENZYLSULFINIC ACIDB,C1CA80.71
PMSBENZYLSULFINIC ACIDA2GKO0.71
PMSBENZYLSULFINIC ACIDB,C,D1BA80.71
WW7N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDEA1MUX0.72
NTSNAPHTHALENE TRISULFONATEA1RML0.74
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.7
PEA2-PHENYLETHYLAMINEA1TNJ0.7
PEA2-PHENYLETHYLAMINED,H2HKM0.7
PEA2-PHENYLETHYLAMINEA1UTO0.7
PEA2-PHENYLETHYLAMINEA,B1D6Y0.7
PEA2-PHENYLETHYLAMINEA,B1D6Z0.7
PEA2-PHENYLETHYLAMINEA,B1D6U0.7
PEA2-PHENYLETHYLAMINEA1UTM0.7
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.77
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.71
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.8
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.8
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.76
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.76
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.71
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.77
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.77
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.71
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.71
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.72
BPSA,B2DE40.75
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.7
NDT2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-
1-OL
A,B1DFG0.71
HS7N-oxo-2-(phenylsulfonylamino)ethanamideA3F1A0.71
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.7
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.78
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.73
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.85
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.85
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.85
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.85
TOSP-SULFINOTOLUENEH1ETT0.78
TOSP-SULFINOTOLUENEI4PAD0.78
TOSP-SULFINOTOLUENEA1EST0.78
TOSP-SULFINOTOLUENEC,G2CHA0.78
TOSP-SULFINOTOLUENEE1PPH0.78
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.87
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.7
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.72
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.72