Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
06J (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
Code : 3R92
Header : CHAPERONE/CHAPERONE INHIBITOR
Title : 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.
Release Data : 2011-06-08
Compound :
mol_id molecule chains synonym
1 Heat shock protein HSP 90-alpha A Heat shock 86 kDa, HSP 86, HSP86, Renal carcinoma antigen NY-REN-38
fragment: N-terminal domain, UNP RESIDUES 10-236
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: HSP90A, HSP90AA1, HSPC1, HSPCA
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET28A
Authors : Zapf, C.W., Bloom, J.D., McBean, J.L., Dushin, R.G., Golas, J.M., Liu, H., Lucas, J., Boschelli, F., Vogan, E.M., Levin, J.I.
Keywords : Chaperone, ATP binding domain, ATP-binding, Nucleotide-binding, Phosphoprotein, Stress response, CHAPERONE-CHAPERONE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.5801 Å )
Citation :

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.

Zapf, C.W.,Bloom, J.D.,McBean, J.L.  et al.
(2011)  Bioorg.Med.Chem.Lett.  21 : 3627 - 3631

PubMed: 21605975
DOI: 10.1016/j.bmcl.2011.04.102

Chain : A
UniProt : P07900 (HS90A_HUMAN)
Reaction : -