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Ligand · O7I

O7I · (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid

O7I, (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid (C22 H22 N2 O3, 362.4 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 binds…

Component
O7I
Formula
C22 H22 N2 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

O7I in 1 structure; the first of them:

  • 8TUC · Unphosphorylated CaMKK2 in complex with CC-8977 · O7I A501 · binds ILE171, GLY172, LYS173, GLY174, SER175, TYR176, VAL179, ALA192 and 15 more

Residues it binds most

GLY 1, ALA 1, ASN 1, GLU 1, LEU 1, LYS 1, SER 1, VAL 1, ASP 1, GLN 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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