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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00528463

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.75
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.75
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.81
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.81
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.71
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.71
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.71
TNFPICRIC ACIDA1GVS0.76
TNFPICRIC ACIDX1VYP0.76
TNFPICRIC ACIDA1VYR0.76
TNFPICRIC ACIDX1VYS0.76
4NL4-AMINOPHENOLA2ORL0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.72
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.71
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
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.88
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.88
4NP4-NITROPHENYL PHOSPHATEA2I6P0.88
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.71
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.71
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.71
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.71
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.79
4NC4-NITROCATECHOLA1NO30.76
4NC4-NITROCATECHOLB2BUU0.76
4NC4-NITROCATECHOLB2BUZ0.76
4NC4-NITROCATECHOLB1EOC0.76
NCR2-NITRO-P-CRESOLA,B1AHV0.72
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.71
NPOP-NITROPHENOLA,B1Z440.82
NPOP-NITROPHENOLX2ZYW0.82
NPOP-NITROPHENOLH,L1YEK0.82
NPOP-NITROPHENOLA,C,E,G43CA0.82
NPOP-NITROPHENOLA1LS60.82
NPOP-NITROPHENOLX2ZVP0.82
NPOP-NITROPHENOLA,B2I100.82
NPOP-NITROPHENOLA1VAH0.82
NPOP-NITROPHENOLA,B3ETT0.82
NPOP-NITROPHENOLA,B2D200.82
NPOP-NITROPHENOLX2ZYV0.82
4NS4-nitrophenyl sulfateX2ZYU0.85
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.93
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.72
DNC3,5-DINITROCATECHOLA3BWY0.72
DNC3,5-DINITROCATECHOLA3BWM0.72
DNC3,5-DINITROCATECHOLA1VID0.72
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.87
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.75
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.89
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.89