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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03399702

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.79
4NC4-NITROCATECHOLA1NO30.73
4NC4-NITROCATECHOLB2BUU0.73
4NC4-NITROCATECHOLB2BUZ0.73
4NC4-NITROCATECHOLB1EOC0.73
4NS4-nitrophenyl sulfateX2ZYU0.79
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.73
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.76
DNF2,4-DINITROPHENOLA,B2B160.79
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.79
DNF2,4-DINITROPHENOLA1GVO0.79
DNF2,4-DINITROPHENOLA,B2B150.79
DNF2,4-DINITROPHENOLA,B2B140.79
NPOP-NITROPHENOLA,B1Z440.78
NPOP-NITROPHENOLX2ZYW0.78
NPOP-NITROPHENOLH,L1YEK0.78
NPOP-NITROPHENOLA,C,E,G43CA0.78
NPOP-NITROPHENOLA1LS60.78
NPOP-NITROPHENOLX2ZVP0.78
NPOP-NITROPHENOLA,B2I100.78
NPOP-NITROPHENOLA1VAH0.78
NPOP-NITROPHENOLA,B3ETT0.78
NPOP-NITROPHENOLA,B2D200.78
NPOP-NITROPHENOLX2ZYV0.78
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.88
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.88
4NP4-NITROPHENYL PHOSPHATEA2I6P0.88
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.71
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.71
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.71
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.82
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.82
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.9
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.9
TNFPICRIC ACIDA1GVS0.77
TNFPICRIC ACIDX1VYP0.77
TNFPICRIC ACIDA1VYR0.77
TNFPICRIC ACIDX1VYS0.77
DNC3,5-DINITROCATECHOLA3BWY0.73
DNC3,5-DINITROCATECHOLA3BWM0.73
DNC3,5-DINITROCATECHOLA1VID0.73
NCR2-NITRO-P-CRESOLA,B1AHV0.77
2AF2-AMINOPHENOLA1L4N0.72
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.7
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.73
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.85
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.71
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.71
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.72
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.88
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.72