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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02336894

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
PBN4-PHENYLBUTYLAMINEA1TNI0.76
PBN4-PHENYLBUTYLAMINEA1UTP0.76
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.92
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide
A,B3DA20.7
PRA3-PHENYLPROPYLAMINEA1TNK0.76
PRA3-PHENYLPROPYLAMINEM1UTL0.76
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.76
TSUPARA-TOLUENE SULFONATEA,B1WUW0.76
TSUPARA-TOLUENE SULFONATEA1B0D0.76
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.75
PEA2-PHENYLETHYLAMINEA1TNJ0.75
PEA2-PHENYLETHYLAMINED,H2HKM0.75
PEA2-PHENYLETHYLAMINEA1UTO0.75
PEA2-PHENYLETHYLAMINEA,B1D6Y0.75
PEA2-PHENYLETHYLAMINEA,B1D6Z0.75
PEA2-PHENYLETHYLAMINEA,B1D6U0.75
PEA2-PHENYLETHYLAMINEA1UTM0.75
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.72
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.72
WW7N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDEA1MUX0.73
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.81
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.81
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.81
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2G720.71
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2OPB0.71
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4D0.75
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4C0.75
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.79
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.79
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.76
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.74
MAJindane-5-sulfonamideA2QOA0.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.71
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.71
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.75
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.79
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.7
TOSP-SULFINOTOLUENEH1ETT0.74
TOSP-SULFINOTOLUENEI4PAD0.74
TOSP-SULFINOTOLUENEA1EST0.74
TOSP-SULFINOTOLUENEC,G2CHA0.74
TOSP-SULFINOTOLUENEE1PPH0.74
C3MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
B,I2C8Y0.7
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.85
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.85
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.85
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.85
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.85
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.85
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.85
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.85
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.76
B2FPHENYLALANINE BORONIC ACIDA,P1P060.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.76
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.76
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.75
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.75
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.74
NDT2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-
1-OL
A,B1DFG0.71
HS7N-oxo-2-(phenylsulfonylamino)ethanamideA3F1A0.71
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.76
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.85
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.85
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.85
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.85
DPKDEPRENYLA,B2BYB0.7
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
915(2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-
N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-
4-YLACETAMIDE
A1YQY0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.89
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.89
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.89
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.89
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.75
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDA1QGF0.73
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E340.73
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E350.73
G0GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-
BENZYLBENZENESULFONAMIDE)
A,B2PQZ0.72
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.8
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.8