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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02946727

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.83
MAJindane-5-sulfonamideA2QOA0.75
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.7
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
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.76
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.8
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide
A,B3DA20.72
G0GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-
BENZYLBENZENESULFONAMIDE)
A,B2PQZ0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.71
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.73
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.73
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE
A1VSN0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.73
B2FPHENYLALANINE BORONIC ACIDA,P1P060.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.73
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.73
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.77
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.71
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.71
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.71
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.72
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
BPSA,B2DE40.73
C3MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
B,I2C8Y0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.78
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.78
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
NDT2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-
1-OL
A,B1DFG0.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.77
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.77
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.77
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.77
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.77
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.77
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.77
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.77
JT5N~2~-(biphenyl-4-ylsulfonyl)-N-
hydroxy-N~2~-(2-hydroxyethyl)glycinamide
A2JT50.71
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.76
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.72
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.76
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.76
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
WW7N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDEA1MUX0.76
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.87