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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03323211

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.87
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.87
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.8
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.71
TNFPICRIC ACIDA1GVS0.79
TNFPICRIC ACIDX1VYP0.79
TNFPICRIC ACIDA1VYR0.79
TNFPICRIC ACIDX1VYS0.79
NCR2-NITRO-P-CRESOLA,B1AHV0.76
4NL4-AMINOPHENOLA2ORL0.77
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.78
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.78
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.71
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.74
DNF2,4-DINITROPHENOLA,B2B160.81
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.81
DNF2,4-DINITROPHENOLA1GVO0.81
DNF2,4-DINITROPHENOLA,B2B150.81
DNF2,4-DINITROPHENOLA,B2B140.81
4NS4-nitrophenyl sulfateX2ZYU0.88
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.7
4NC4-NITROCATECHOLA1NO30.81
4NC4-NITROCATECHOLB2BUU0.81
4NC4-NITROCATECHOLB2BUZ0.81
4NC4-NITROCATECHOLB1EOC0.81
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.75
2AF2-AMINOPHENOLA1L4N0.72
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.74
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.98
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.98
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.9
DNC3,5-DINITROCATECHOLA3BWY0.74
DNC3,5-DINITROCATECHOLA3BWM0.74
DNC3,5-DINITROCATECHOLA1VID0.74
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.7
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.78
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
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
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.97
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.97
4NP4-NITROPHENYL PHOSPHATEA2I6P0.97
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.93
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.74
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.7
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.7
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.7
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71