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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00791265

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B664-{[(1R,2S)-1,2-dihydroxy-2-methyl-
3-(4-nitrophenoxy)propyl]amino}-
2-(trifluoromethyl)benzonitrile
A3B660.74
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.79
4NC4-NITROCATECHOLA1NO30.7
4NC4-NITROCATECHOLB2BUU0.7
4NC4-NITROCATECHOLB2BUZ0.7
4NC4-NITROCATECHOLB1EOC0.7
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.71
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.83
LAM4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-
(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-
(1-3)-BETA-D-GLUCOPYRANOSIDE
A1J8V0.72
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.79
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.79
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.76
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.76
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.76
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.79
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.79
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.7
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.77
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.77
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.78
EPY1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-
NITROPHENOXY-PROPANE
A,B,C,D1C720.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.84
B68(2S)-3-[4-(acetylamino)phenoxy]-
2-hydroxy-2-methyl-N-[4-nitro-3-
(trifluoromethyl)phenyl]propanamide
A3B680.72
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.74
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE
A,B,C2GGX0.79
NPOP-NITROPHENOLA,B1Z440.71
NPOP-NITROPHENOLX2ZYW0.71
NPOP-NITROPHENOLH,L1YEK0.71
NPOP-NITROPHENOLA,C,E,G43CA0.71
NPOP-NITROPHENOLA1LS60.71
NPOP-NITROPHENOLX2ZVP0.71
NPOP-NITROPHENOLA,B2I100.71
NPOP-NITROPHENOLA1VAH0.71
NPOP-NITROPHENOLA,B3ETT0.71
NPOP-NITROPHENOLA,B2D200.71
NPOP-NITROPHENOLX2ZYV0.71
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.75
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.75
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.76
4NS4-nitrophenyl sulfateX2ZYU0.7
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.77
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.77
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.77
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.77
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.77
XTG4-NITROPHENYL 6-THIO-6-S-ALPHA-
D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
A,B,C,D,E,F2F2H0.74
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.8
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.8
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.71