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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00752368

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.76
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C2PE50.74
1451-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYV0.74
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.72
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.75
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A2PB10.71
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1E4I0.71
NFG2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-GLUCOPYRANOSIDE
A1UYQ0.71
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.71
B664-{[(1R,2S)-1,2-dihydroxy-2-methyl-
3-(4-nitrophenoxy)propyl]amino}-
2-(trifluoromethyl)benzonitrile
A3B660.7
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.75
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.75
BIQBENZYL [12-(2-AMINO-2-OXOETHYL)-
4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]-
2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA-
1(19),3(22),4,6,17,20-HEXAEN-9-
YL]CARBAMATE
H,V2GPL0.71
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.7
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.7
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.75
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.75
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.75
EPY1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-
NITROPHENOXY-PROPANE
A,B,C,D1C720.72
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.7
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.79
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.79
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.79
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.78
M2F2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-
BETA-D-MANNOPYRANOSIDE
A,B2WBK0.71