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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03521271

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.94
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.94
4NS4-nitrophenyl sulfateX2ZYU0.82
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.73
4NL4-AMINOPHENOLA2ORL0.72
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.76
DNC3,5-DINITROCATECHOLA3BWY0.71
DNC3,5-DINITROCATECHOLA3BWM0.71
DNC3,5-DINITROCATECHOLA1VID0.71
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.74
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.95
4NC4-NITROCATECHOLA1NO30.76
4NC4-NITROCATECHOLB2BUU0.76
4NC4-NITROCATECHOLB2BUZ0.76
4NC4-NITROCATECHOLB1EOC0.76
NCR2-NITRO-P-CRESOLA,B1AHV0.72
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.75
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.7
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.74
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
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.85
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.85
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.74
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.74
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.91
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.91
4NP4-NITROPHENYL PHOSPHATEA2I6P0.91
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.87
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.71
DNF2,4-DINITROPHENOLA,B2B160.78
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.78
DNF2,4-DINITROPHENOLA1GVO0.78
DNF2,4-DINITROPHENOLA,B2B150.78
DNF2,4-DINITROPHENOLA,B2B140.78
TNFPICRIC ACIDA1GVS0.75
TNFPICRIC ACIDX1VYP0.75
TNFPICRIC ACIDA1VYR0.75
TNFPICRIC ACIDX1VYS0.75