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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00081184

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.79
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.75
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.73
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.71
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.75
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1E560.72
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1H490.72
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1E4N0.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.75
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.75
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.75
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.73
B67(2S)-2-hydroxy-2-methyl-N-[4-nitro-
3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide
A3B670.72
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.75
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX80.72
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX70.72
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AXA0.72
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.7
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.73
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.71
B68(2S)-3-[4-(acetylamino)phenoxy]-
2-hydroxy-2-methyl-N-[4-nitro-3-
(trifluoromethyl)phenyl]propanamide
A3B680.75
EPY1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-
NITROPHENOXY-PROPANE
A,B,C,D1C720.77
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.7
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.75
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.77
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.71