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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02845207

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.74
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.74
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B3FHX0.72
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2DDW0.72
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9W0.72
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9X0.72
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B1TD20.72
P3FPHOSPHORIC ACID MONO-(5-HYDROXY-
6-METHYL-4-{[2-(2-TRIFLUOROMETHYL-
BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}-
PYRIDIN-3-YLMETHYL)ESTER
A,B2FQ60.71
VRSVIRGINIAMYCIN S10,1,2,3,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
1YIT0.73
LCSL-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
A1D7U0.7
PYCPYRROLE-2-CARBOXYLATEA1W620.75
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.75
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.75
PYCPYRROLE-2-CARBOXYLATEA,B1W610.75
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.75
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH40.72
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH90.72
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G190.77
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G1M0.77
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.71
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
A,B2DAA0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
A,B,C,D2RJH0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
A1D7S0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
A,B1EPV0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
A1I2L0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
A,B1NIU0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
A,B1VFS0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
A,B1VFT0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
A1MDZ0.7
39Z5-HYDROXY-3-[(1R)-1-(1H-PYRROL-
2-YL)ETHYL]-2H-INDOL-2-ONE
A2PE00.72
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBT0.72
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBU0.72
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID
A1B9I0.71
PYXS-[S-THIOPYRIDOXAMINYL]CYSTEINEA,B1A2D0.7
POIN~2~-ACETYL-N~5~-({3-HYDROXY-2-
METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYL)-L-ORNITHINE
A,B1WKG0.7