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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03779727

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DFKD-PHENYLALANYL-N-[(1S)-4-{[(Z)-
AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-
L-PROLINAMIDE
H,L3E6P0.7
GB7(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-
2-hydroxy-1-phenylethyl]amino}methyl)-
1-methylpyrrolidin-2-one
A3DDG0.73
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.7
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
A1FZZ0.72
DPB(S)-1-[2'-DEOXY-3',5'-O-(1-PHOSPHONO)BENZYLIDENE-
B-D-THREO-PENTOFURANOSYL]THYMINE
A1Q910.72
OTGORTHO-TOLUOYLGLUCOSAMINEA2YHX0.74
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.7
UPPPHENYL-URIDINE-5'-DIPHOSPHATEA,B2UDP0.72
UPPPHENYL-URIDINE-5'-DIPHOSPHATEA,B3BXO0.72
BFN5-(acetylamino)-2,6-anhydro-3,5,9-
trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]-
D-arabino-L-galacto-nononic acid
A3B690.73
BNDME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5ACA1OD90.72
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.7
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.71
F59N-[(biphenyl-4-ylcarbonyl)carbamoyl]-
beta-D-glucopyranosylamine
A2QLN0.77
2SK(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-
5-(METHYLTHIO)CYCLOPENTANE-1,2,3-
TRIOL
A2F7P0.7
NBXN-{[(4-aminophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN90.76
GCA6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-
5-ISOPROPYLURACIL
A1C1B0.7
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,B3C580.73
LHADOUBLY FUNCTIONALIZED PAROMOMYCIN PM-
II-162
A,B2PWT0.71
NBYN-{[(4-nitrophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN80.72
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID
A2V350.73
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.74
DPC5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-
PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-
PYRAN-2-CARBOXYLIC ACID
A,B1A4Q0.72
DPC5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-
PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-
PYRAN-2-CARBOXYLIC ACID
A1BJI0.72
BOEA,B1YBC0.8
DUX2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINEA,B,C1VYQ0.72
SLD(3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-
2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-
4-en-1-yl]-3-(4-methyl-2,6-dioxo-
1,6-dihydropyrimidin-5(2H)-ylidene)propanamide
0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
3CXC0.71
78AN-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE
A2DCD0.72
BZDA1K060.8
BZDA1K080.8
BZDA2QNB0.8
F55N-{[(4-chlorophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN30.75
F68N-{[(4-methylphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QLM0.8
GB6(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-
2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-
2-one
A3DDF0.72
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.72
SC7N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-
YL]-2-HYDROXYETHYL}-5-METHYL-N,N-
DIPROPYLISOPHTHALAMIDE
A,B2QP80.7
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