Ligand · 7JN

7JN · 4'-fluoro-4,5-dihydroxy-N-{[(1R,2R)-2-{(2S,4R,5R)-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide

7JN, 4'-fluoro-4,5-dihydroxy-N-{[(1R,2R)-2-{(2S,4R,5R)-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide (C27 H27 F N6 O5, 534.5 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component: 7JN
Formula: C27 H27 F N6 O5
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

7JN in 1 structure; the first of them:

5P9W · Rat catechol O-methyltransferase in complex with 4'-fluoro-4,5… · 7JN A304 · binds TRP38, MET40, MET89, GLU90, MET91, ASN92, TYR95, GLY117 and 14 more

Residues it binds most

MET 1, ASN 1, ASP 1, GLU 1, TRP 1, ALA 1, ARG 1, GLN 1, GLY 1, HIS 1 (residue and the binding sites it lines).

Found with

D1D · (4S,5S)-1,2-dithiane-4,5-diol
MG · Magnesium ion
CL · Chloride ion
SO4 · Sulfate ion
NHE · 2-[N-cyclohexylamino]ethane sulfonic acid

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