› 5v8q

X-ray diffraction
1.44Å resolution

Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III

Released:
DOI: 10.2210/pdb5v8q/pdb
PDB entry 5v8q coloured by chain, front view.
PDB entry 5v8q coloured by chain, side view.
PDB entry 5v8q coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs) Part III: Discovery of 4-(5-oxopyrrolidine-1-yl)benzonitrile derivative 2f as a clinical candidate.
Aikawa K, Asano M, Ono K, Habuka N, Yano J, Wilson K, Fujita H, Kandori H, Hara T, Morimoto M, Santou T, Yamaoka M, Nakayama M, Hasuoka A
Bioorg Med Chem 25 3330-3349 (2017)
PMID: 28454849

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145222 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Androgen receptor Chain: A
Molecule details ›
Chain: A
Length: 249 amino acids
Theoretical weight: 28.99 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P10275 (Residues: 672-920; Coverage: 27%)
Gene names: AR, DHTR, NR3C4
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

2 bound ligands:
Ligand GOL 3 x GOL
Ligand 97A 1 x 97A
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P212121
Unit cell:
a: 54.747Å b: 65.557Å c: 70.941Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.167 0.205
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Anabolic-androgenic steroids: How do they work and what are the risks?
Bond et al. (2022)
6 other articles

5 mentions without citation

An Overview of Next-Generation Androgen Receptor-Targeted Therapeutics in Development for the Treatment of Prostate Cancer.
Mohler et al. (2021)
4 more