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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022757

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.8
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.74
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.76
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.76
DNF2,4-DINITROPHENOLA,B2B160.83
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.83
DNF2,4-DINITROPHENOLA1GVO0.83
DNF2,4-DINITROPHENOLA,B2B150.83
DNF2,4-DINITROPHENOLA,B2B140.83
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.71
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.76
4NC4-NITROCATECHOLA1NO30.72
4NC4-NITROCATECHOLB2BUU0.72
4NC4-NITROCATECHOLB2BUZ0.72
4NC4-NITROCATECHOLB1EOC0.72
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.76
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.76
4NP4-NITROPHENYL PHOSPHATEA2I6P0.76
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.71
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.78
DNC3,5-DINITROCATECHOLA3BWY0.76
DNC3,5-DINITROCATECHOLA3BWM0.76
DNC3,5-DINITROCATECHOLA1VID0.76
TNFPICRIC ACIDA1GVS0.83
TNFPICRIC ACIDX1VYP0.83
TNFPICRIC ACIDA1VYR0.83
TNFPICRIC ACIDX1VYS0.83
NPOP-NITROPHENOLA,B1Z440.77
NPOP-NITROPHENOLX2ZYW0.77
NPOP-NITROPHENOLH,L1YEK0.77
NPOP-NITROPHENOLA,C,E,G43CA0.77
NPOP-NITROPHENOLA1LS60.77
NPOP-NITROPHENOLX2ZVP0.77
NPOP-NITROPHENOLA,B2I100.77
NPOP-NITROPHENOLA1VAH0.77
NPOP-NITROPHENOLA,B3ETT0.77
NPOP-NITROPHENOLA,B2D200.77
NPOP-NITROPHENOLX2ZYV0.77
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.72
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.72
NCR2-NITRO-P-CRESOLA,B1AHV0.72
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.7
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.74
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.74
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.73
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.78
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.78
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.78
4NS4-nitrophenyl sulfateX2ZYU0.78
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.72
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.72
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.72
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
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.71