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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02187928

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.71
DNF2,4-DINITROPHENOLA,B2B160.8
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.8
DNF2,4-DINITROPHENOLA1GVO0.8
DNF2,4-DINITROPHENOLA,B2B150.8
DNF2,4-DINITROPHENOLA,B2B140.8
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.71
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.72
2AF2-AMINOPHENOLA1L4N0.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.7
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.81
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.9
NPOP-NITROPHENOLA,B1Z440.86
NPOP-NITROPHENOLX2ZYW0.86
NPOP-NITROPHENOLH,L1YEK0.86
NPOP-NITROPHENOLA,C,E,G43CA0.86
NPOP-NITROPHENOLA1LS60.86
NPOP-NITROPHENOLX2ZVP0.86
NPOP-NITROPHENOLA,B2I100.86
NPOP-NITROPHENOLA1VAH0.86
NPOP-NITROPHENOLA,B3ETT0.86
NPOP-NITROPHENOLA,B2D200.86
NPOP-NITROPHENOLX2ZYV0.86
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
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.7
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.7
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.7
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.73
DNC3,5-DINITROCATECHOLA3BWY0.73
DNC3,5-DINITROCATECHOLA3BWM0.73
DNC3,5-DINITROCATECHOLA1VID0.73
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.77
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.92
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.92
4NP4-NITROPHENYL PHOSPHATEA2I6P0.92
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.72
4NS4-nitrophenyl sulfateX2ZYU0.89
TNFPICRIC ACIDA1GVS0.78
TNFPICRIC ACIDX1VYP0.78
TNFPICRIC ACIDA1VYR0.78
TNFPICRIC ACIDX1VYS0.78
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.85
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.85
4NC4-NITROCATECHOLA1NO30.8
4NC4-NITROCATECHOLB2BUU0.8
4NC4-NITROCATECHOLB2BUZ0.8
4NC4-NITROCATECHOLB1EOC0.8
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.93
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.93
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.72
NCR2-NITRO-P-CRESOLA,B1AHV0.75
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.88
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.79
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.79
4NL4-AMINOPHENOLA2ORL0.76