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Ligand · DO1

DO1 · 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl) ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

DO1, 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl) ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (C22 H24 Cl N3 O3, 413.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
DO1
Formula
C22 H24 Cl N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

DO1 in 2 structures; the first of them:

  • 6BH0 · LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR… · DO1 A601 · binds ARG73, GLN75, TYR409, ALA411, ASP412, TRP470, TYR472, SER479 and 7 more
  • 6BH0 · Linked KDM5A jmj domain bound to the inhibitor (R)-2-((2… · DO1 A601 · binds ARG73, GLN75, TYR409, ALA411, ASP412, TRP470, TYR472, SER479 and 7 more

Residues it binds most

HIS 2, TRP 2, TYR 2, ALA 2, ARG 2, ASN 2, ASP 2, CYS 2, GLN 2, LYS 2 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • DMS · Dimethyl sulfoxide

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