Ligand · 9N8

9N8 · 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide

9N8, 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide (C17 H11 Br F N3 O2, 388.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component: 9N8
Formula: C17 H11 Br F N3 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

9N8 in 2 structures; the first of them:

5O7I · ERK5 in complex with a pyrrole inhibitor · 9N8 A501 · binds ILE61, TYR66, VAL69, ALA82, LYS84, ILE115, LEU137, ASP138 and 6 more
5O7I · ERK5 in complex with a pyrrole inhibitor · 9N8 A501 · binds ILE61, TYR66, VAL69, ALA82, LYS84, ILE115, LEU137, ASP138 and 6 more

Residues it binds most

LEU 2, ASP 2, ILE 2, ALA 2, GLU 2, GLY 2, LYS 2, MET 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

DMS · Dimethyl sulfoxide

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