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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02005709

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B68(2S)-3-[4-(acetylamino)phenoxy]-
2-hydroxy-2-methyl-N-[4-nitro-3-
(trifluoromethyl)phenyl]propanamide
A3B680.71
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.76
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.76
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.75
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE
A,B,C2GGX0.74
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.78
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.78
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1E560.72
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1H490.72
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1E4N0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.7
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.7
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.7
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.7
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.79
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.79
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.79
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.73
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
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.74
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.74
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.74
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.74
XTG4-NITROPHENYL 6-THIO-6-S-ALPHA-
D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
A,B,C,D,E,F2F2H0.7
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.74
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.74
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX80.7
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX70.7
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AXA0.7
A24(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE
D,E,F,G,H1JR00.71
DRF(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-
10-YL)ETHOXY]PHENYL}PROPANOIC ACID
A1NYX0.7
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.74
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.76
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.76
EPY1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-
NITROPHENOXY-PROPANE
A,B,C,D1C720.72
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.74