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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03030545

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.84
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.88
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.71
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.71
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.9
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.9
4NP4-NITROPHENYL PHOSPHATEA2I6P0.9
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.76
NCR2-NITRO-P-CRESOLA,B1AHV0.76
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.78
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.78
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
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
4NS4-nitrophenyl sulfateX2ZYU0.88
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.79
TNFPICRIC ACIDA1GVS0.77
TNFPICRIC ACIDX1VYP0.77
TNFPICRIC ACIDA1VYR0.77
TNFPICRIC ACIDX1VYS0.77
2AF2-AMINOPHENOLA1L4N0.72
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.71
4NC4-NITROCATECHOLA1NO30.79
4NC4-NITROCATECHOLB2BUU0.79
4NC4-NITROCATECHOLB2BUZ0.79
4NC4-NITROCATECHOLB1EOC0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.93
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.93
NPOP-NITROPHENOLA,B1Z440.87
NPOP-NITROPHENOLX2ZYW0.87
NPOP-NITROPHENOLH,L1YEK0.87
NPOP-NITROPHENOLA,C,E,G43CA0.87
NPOP-NITROPHENOLA1LS60.87
NPOP-NITROPHENOLX2ZVP0.87
NPOP-NITROPHENOLA,B2I100.87
NPOP-NITROPHENOLA1VAH0.87
NPOP-NITROPHENOLA,B3ETT0.87
NPOP-NITROPHENOLA,B2D200.87
NPOP-NITROPHENOLX2ZYV0.87
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.72
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.72
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.84
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.84
DNC3,5-DINITROCATECHOLA3BWY0.72
DNC3,5-DINITROCATECHOLA3BWM0.72
DNC3,5-DINITROCATECHOLA1VID0.72
4NL4-AMINOPHENOLA2ORL0.76