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Ligand · Q54

Q54 · (3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid

Q54, (3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid (C24 H26 Cl N O3, 411.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
Q54
Formula
C24 H26 Cl N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

Q54 in 2 structures; the first of them:

  • 6UDY · X-ray co-crystal structure of compound 5 with Mcl-1 · Q54 A401 · binds ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250, VAL253 and 9 more
  • 6UDY · X-ray co-crystal structure of compound 5 with mcl-1 · Q54 A401 · binds ALA227, PHE228, MET231, VAL249, MET250, VAL253, PHE254, ARG263 and 6 more

Residues it binds most

LEU 4, PHE 4, VAL 4, MET 4, ALA 4, ARG 4, GLY 4, ILE 4, THR 4 (residue and the binding sites it lines).

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