3R92
Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Heat shock protein HSP 90-alpha | polymer | 226 | 25412.6 | 1 | UniProt (P07900) Pfam (PF13589) | Homo sapiens (human) | Heat shock 86 kDa, HSP 86, HSP86, Renal carcinoma antigen NY-REN-38 |
| 2 | B (A) | (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide | non-polymer | 434.6 | 1 | Chemie (06J) | |||
| 3 | C (A) | water | water | 18.0 | 342 | Chemie (HOH) |
Sequence modifications
A: 11 - 236 (UniProt: P07900)
| PDB | External Database | Details |
|---|---|---|
| - | Glu 16 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 25412.6 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 434.6 | |
| All* | Total formula weight | 25847.1 |
