Ligand · 7JE

7JE · 5-(4-fluorophenyl)-~{N}-[[3-[(~{R})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl) benzamide

7JE, 5-(4-fluorophenyl)-~{N}-[[3-[(~{R})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl) benzamide (C29 H24 F N3 O4, 497.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component: 7JE
Formula: C29 H24 F N3 O4
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

7JE in 1 structure; the first of them:

5P9N · Humanized rat comt in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N… · 7JE A307 · binds TRP38, MET40, GLY66, TYR68, MET89, GLU90, ILE91, GLY117 and 14 more

Residues it binds most

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

Found with

8JE · 5-(4-fluorophenyl)-~{N}-[[3-[(~{S})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl) benzamide
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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