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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00087038

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.74
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.71
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.72
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.71
DNC3,5-DINITROCATECHOLA3BWY0.71
DNC3,5-DINITROCATECHOLA3BWM0.71
DNC3,5-DINITROCATECHOLA1VID0.71
4NS4-nitrophenyl sulfateX2ZYU0.76
NPOP-NITROPHENOLA,B1Z440.72
NPOP-NITROPHENOLX2ZYW0.72
NPOP-NITROPHENOLH,L1YEK0.72
NPOP-NITROPHENOLA,C,E,G43CA0.72
NPOP-NITROPHENOLA1LS60.72
NPOP-NITROPHENOLX2ZVP0.72
NPOP-NITROPHENOLA,B2I100.72
NPOP-NITROPHENOLA1VAH0.72
NPOP-NITROPHENOLA,B3ETT0.72
NPOP-NITROPHENOLA,B2D200.72
NPOP-NITROPHENOLX2ZYV0.72
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.79
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.7
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.72
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.7
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.72
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.72
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.74
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.74
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.74
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.71
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.71
DNF2,4-DINITROPHENOLA,B2B160.77
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.77
DNF2,4-DINITROPHENOLA1GVO0.77
DNF2,4-DINITROPHENOLA,B2B150.77
DNF2,4-DINITROPHENOLA,B2B140.77
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.71
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.71
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.72
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.72
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.73
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.73
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
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.87
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.87
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.87
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.72
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.72
4NP4-NITROPHENYL PHOSPHATEA2I6P0.72
TNFPICRIC ACIDA1GVS0.75
TNFPICRIC ACIDX1VYP0.75
TNFPICRIC ACIDA1VYR0.75
TNFPICRIC ACIDX1VYS0.75