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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03779781

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DUX2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINEA,B,C1VYQ0.71
NBYN-{[(4-nitrophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN80.71
GB7(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-
2-hydroxy-1-phenylethyl]amino}methyl)-
1-methylpyrrolidin-2-one
A3DDG0.75
DPB(S)-1-[2'-DEOXY-3',5'-O-(1-PHOSPHONO)BENZYLIDENE-
B-D-THREO-PENTOFURANOSYL]THYMINE
A1Q910.72
BFN5-(acetylamino)-2,6-anhydro-3,5,9-
trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]-
D-arabino-L-galacto-nononic acid
A3B690.72
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.72
OTGORTHO-TOLUOYLGLUCOSAMINEA2YHX0.74
DFKD-PHENYLALANYL-N-[(1S)-4-{[(Z)-
AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-
L-PROLINAMIDE
H,L3E6P0.72
NBXN-{[(4-aminophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN90.75
TZTSOBLIDOTINA,B,C,D3E220.7
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.71
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.72
F59N-[(biphenyl-4-ylcarbonyl)carbamoyl]-
beta-D-glucopyranosylamine
A2QLN0.77
6812-(5-AMINO-6-OXO-2-PHENYL-6H-PYRIMIDIN-
1-YL)-N-[2-(5-TERT-BUTYL-1,3,4-
OXADIAZOL-2-YL)-1-(METHYLETHYL)-
2-HYDROXYETHYL]ACETAMIDE
A1FZZ0.73
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.72
SOS[(1R,2S,4R)-4-({2-AMINO-5-[BENZYL(FORMYL)AMINO]-
6-OXO-1,6-DIHYDROPYRIMIDIN-4-YL}AMINO)-
2-HYDROXYCYCLOPENTYL]METHYL DIHYDROGEN PHOSPHATE
A,B3C580.75
GB6(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-
2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-
2-one
A3DDF0.74
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.74
BOEA,B1YBC0.8
MNIN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-
4-(DIMETHYLAMINO)BENZAMIDE
A,B2OYM0.71
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.73
BZDA1K060.8
BZDA1K080.8
BZDA2QNB0.8
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID
A2V350.72
F55N-{[(4-chlorophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN30.75
F68N-{[(4-methylphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QLM0.8
C90N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-
4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide
A2JT20.7
DPC5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-
PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-
PYRAN-2-CARBOXYLIC ACID
A,B1A4Q0.73
DPC5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-
PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-
PYRAN-2-CARBOXYLIC ACID
A1BJI0.73
HBZN-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN70.71
BAU1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-
2,4(1H,3H)-DIONE
A,B,C,D,E,F1U1C0.76
BAU1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-
2,4(1H,3H)-DIONE
A,B,C,D3EUF0.76
XCY{5-[4-{[4-(AMINOMETHYL)BENZYL]AMINO}-
2-OXOPYRIMIDIN-1(2H)- YL]-3-HYDROXYTETRAHYDROFURAN-
2-YL}METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,F1YFH0.76
BNDME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5ACA1OD90.71
UPPPHENYL-URIDINE-5'-DIPHOSPHATEA,B2UDP0.71
UPPPHENYL-URIDINE-5'-DIPHOSPHATEA,B3BXO0.71
BAV(3S,14R,16S)-16-[(1R)-1-hydroxy-
2-{[3-(1-methylethyl)benzyl]amino}ethyl]-
3,4,14-trimethyl-1,4-diazacyclohexadecane-
2,5-dione
A,B,C3DV50.7
78AN-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE
A2DCD0.74