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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00548163

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.73
DNF2,4-DINITROPHENOLA,B2B160.82
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.82
DNF2,4-DINITROPHENOLA1GVO0.82
DNF2,4-DINITROPHENOLA,B2B150.82
DNF2,4-DINITROPHENOLA,B2B140.82
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.75
NPOP-NITROPHENOLA,B1Z440.75
NPOP-NITROPHENOLX2ZYW0.75
NPOP-NITROPHENOLH,L1YEK0.75
NPOP-NITROPHENOLA,C,E,G43CA0.75
NPOP-NITROPHENOLA1LS60.75
NPOP-NITROPHENOLX2ZVP0.75
NPOP-NITROPHENOLA,B2I100.75
NPOP-NITROPHENOLA1VAH0.75
NPOP-NITROPHENOLA,B3ETT0.75
NPOP-NITROPHENOLA,B2D200.75
NPOP-NITROPHENOLX2ZYV0.75
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.73
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.71
TNFPICRIC ACIDA1GVS0.81
TNFPICRIC ACIDX1VYP0.81
TNFPICRIC ACIDA1VYR0.81
TNFPICRIC ACIDX1VYS0.81
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.76
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.82
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
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.72
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.72
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.75
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.75
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.75
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.73
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.73
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.73
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.73
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.73
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.71
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.71
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.73
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.73
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.81
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.81
4NS4-nitrophenyl sulfateX2ZYU0.7
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.72
4NC4-NITROCATECHOLA1NO30.83
4NC4-NITROCATECHOLB2BUU0.83
4NC4-NITROCATECHOLB2BUZ0.83
4NC4-NITROCATECHOLB1EOC0.83
NCR2-NITRO-P-CRESOLA,B1AHV0.73
DNC3,5-DINITROCATECHOLA3BWY0.91
DNC3,5-DINITROCATECHOLA3BWM0.91
DNC3,5-DINITROCATECHOLA1VID0.91