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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02500531

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XCY{5-[4-{[4-(AMINOMETHYL)BENZYL]AMINO}-
2-OXOPYRIMIDIN-1(2H)- YL]-3-HYDROXYTETRAHYDROFURAN-
2-YL}METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,F1YFH0.74
NBYN-{[(4-nitrophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN80.71
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
F59N-[(biphenyl-4-ylcarbonyl)carbamoyl]-
beta-D-glucopyranosylamine
A2QLN0.74
NBXN-{[(4-aminophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN90.75
BAU1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-
2,4(1H,3H)-DIONE
A,B,C,D,E,F1U1C0.72
BAU1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-
2,4(1H,3H)-DIONE
A,B,C,D3EUF0.72
F68N-{[(4-methylphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QLM0.75
BOEA,B1YBC0.77
179N-[(naphthalen-2-ylamino)(oxo)acetyl]-
beta-D-glucopyranosylamine
A3CUT0.7
BZDA1K060.76
BZDA1K080.76
BZDA2QNB0.76
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
F55N-{[(4-chlorophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN30.72
445N-[oxo(phenylamino)acetyl]-beta-
D-glucopyranosylamine
A3CUW0.7
376N-[(naphthalen-1-ylamino)(oxo)acetyl]-
beta-D-glucopyranosylamine
A3CUU0.7
UPPPHENYL-URIDINE-5'-DIPHOSPHATEA,B2UDP0.71
UPPPHENYL-URIDINE-5'-DIPHOSPHATEA,B3BXO0.71