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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02056718

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.76
MAJindane-5-sulfonamideA2QOA0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.79
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.79
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.79
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.79
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.71
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4D0.73
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4C0.73
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.71
BCSBENZYLCYSTEINEA,B,G,H10GS0.71
BCSBENZYLCYSTEINEA1EH80.71
MTS(4S-TRANS)-4-(METHYLAMINO)-5,6-
DIHYDRO-6-METHYL-4H-THIENO(2,3-
B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
A1CIN0.71
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.7
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2G720.73
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2OPB0.73
PTS(4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-
6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-
2-SULFONAMIDE-7,7-DIOXIDE
A1CIM0.75
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.7
ETS(4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-
6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-
2-SULFONAMIDE-7,7-DIOXIDE
A1CIL0.72
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.75
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.75
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.75
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.75
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.75
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.73
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.78
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.81
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.73
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.73