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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01221705

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
H1GAF0.88
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.88
NPOP-NITROPHENOLA,B1Z440.85
NPOP-NITROPHENOLX2ZYW0.85
NPOP-NITROPHENOLH,L1YEK0.85
NPOP-NITROPHENOLA,C,E,G43CA0.85
NPOP-NITROPHENOLA1LS60.85
NPOP-NITROPHENOLX2ZVP0.85
NPOP-NITROPHENOLA,B2I100.85
NPOP-NITROPHENOLA1VAH0.85
NPOP-NITROPHENOLA,B3ETT0.85
NPOP-NITROPHENOLA,B2D200.85
NPOP-NITROPHENOLX2ZYV0.85
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.76
4NL4-AMINOPHENOLA2ORL0.75
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
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.76
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.74
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.94
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.94
4NP4-NITROPHENYL PHOSPHATEA2I6P0.94
TNFPICRIC ACIDA1GVS0.77
TNFPICRIC ACIDX1VYP0.77
TNFPICRIC ACIDA1VYR0.77
TNFPICRIC ACIDX1VYS0.77
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.97
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.7
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.95
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.95
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.75
2AF2-AMINOPHENOLA1L4N0.7
4NC4-NITROCATECHOLA1NO30.79
4NC4-NITROCATECHOLB2BUU0.79
4NC4-NITROCATECHOLB2BUZ0.79
4NC4-NITROCATECHOLB1EOC0.79
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.76
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.76
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.78
DNC3,5-DINITROCATECHOLA3BWY0.72
DNC3,5-DINITROCATECHOLA3BWM0.72
DNC3,5-DINITROCATECHOLA1VID0.72
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.74
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.87
4NS4-nitrophenyl sulfateX2ZYU0.86
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
NCR2-NITRO-P-CRESOLA,B1AHV0.73