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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00031569

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C47METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-
9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-
9-OXO-NONANOYL]-3,4-DIHYDRO-2H-
QUINOLINE-3-CARBOXYLATE
C,O2V160.71
F68N-{[(4-methylphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QLM0.72
BZDA1K060.72
BZDA1K080.72
BZDA2QNB0.72
F59N-[(biphenyl-4-ylcarbonyl)carbamoyl]-
beta-D-glucopyranosylamine
A2QLN0.74
VG0N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(1,1,5-trimethylhexyl)amino]propyl}-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide
A2VIE0.71
AKC2-ETHOXYETHYL (1S,2S)-3-{(2S)-4-
[(3AS,8S,8AR)-2-OXO-3,3A,8,8A-TETRAHYDRO-
2H-INDENO[1,2-D][1,3]OXAZOL-8-YL]-
2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-
2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
A2BB90.71
PCYPACTAMYCINA,D,H,N1HNX0.71
BNDME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5ACA1OD90.72
179N-[(naphthalen-2-ylamino)(oxo)acetyl]-
beta-D-glucopyranosylamine
A3CUT0.7
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
B2G630.73
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine
A,B3DDS0.72
MU1N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-
3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-
5-YL]CARBONYL}AMINO)-1-BENZYL-3-
HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE
A,B2Q540.72
BFN5-(acetylamino)-2,6-anhydro-3,5,9-
trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]-
D-arabino-L-galacto-nononic acid
A3B690.71
NBXN-{[(4-aminophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN90.79
MNIN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-
4-(DIMETHYLAMINO)BENZAMIDE
A,B2OYM0.76
SUWME-A-9-N-(NAPHTHYL-2-CARBONYL)-
AMINO-9-DEOXY-NEU5AC
A1OD70.71
OTGORTHO-TOLUOYLGLUCOSAMINEA2YHX0.71
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide
A2VJ90.7
BDUME-A-9-N-(BIPHENYL-4-CARBONYL)-
AMINO-9-DEOXY-NEU5AC
A1ODA0.73
NBYN-{[(4-nitrophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN80.75