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Ligand · 963

963 · (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one

963, (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one (C20 H20 N2 O5, 368.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
963
Formula
C20 H20 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

963 in 2 structures; the first of them:

  • 7Q6U · Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6) · 963 A1204 · binds ARG1007, VAL1008, PHE1009, THR1010, LYS1011, PRO1012, VAL1013, ASP1014 and 6 more
  • 7Q6U · Crystal structure of the bromodomain of ATAD2 with phenol hts hit (cpd 6) · 963 A1204 · binds ARG1007, VAL1008, PHE1009, THR1010, LYS1011, VAL1013, ASP1014, GLU1017 and 4 more

Residues it binds most

VAL 2, TYR 2, ARG 2, ASN 2, ASP 2, GLU 2, ILE 2, LYS 2, PHE 2, THR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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