Ligand · 77L

77L · 5-(4-fluorophenyl)-2,3-dihydroxy-N-(2-hydroxyethyl) benzamide

77L, 5-(4-fluorophenyl)-2,3-dihydroxy-N-(2-hydroxyethyl) benzamide (C15 H14 F N O4, 291.3 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component: 77L
Formula: C15 H14 F N O4
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

77L in 1 structure; the first of them:

5P98 · Rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2… · 77L A308 · binds TRP38, MET40, ASP141, HIS142, LYS144, ASP169, ASN170, VAL173 and 3 more

Residues it binds most

ASP 1, ASN 1, GLU 1, HIS 1, LEU 1, LYS 1, MET 1, PRO 1, TRP 1, VAL 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
PO4 · Phosphate ion
NHE · 2-[N-cyclohexylamino]ethane sulfonic acid

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