Reaction Details Report a problem with these data
Target
Heat shock protein HSP 90-beta
Ligand
BDBM20926
Substrate
n/a
Meas. Tech.
ChEMBL_1336953 (CHEMBL3242261)
IC50
7.0±n/a nM
Citation
 Ernst, JT; Neubert, T; Liu, M; Sperry, S; Zuccola, H; Turnbull, A; Fleck, B; Kargo, W; Woody, L; Chiang, P; Tran, D; Chen, W; Snyder, P; Alcacio, T; Nezami, A; Reynolds, J; Alvi, K; Goulet, L; Stamos, D Identification of novel HSP90a/ß isoform selective inhibitors using structure-based drug design. demonstration of potential utility in treating CNS disorders such as Huntington's disease. J Med Chem 57:3382-400 (2014) [PubMed]  Article 
Target
Name:
Heat shock protein HSP 90-beta
Synonyms:
HSP 84 | HSP 90 | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 (Hsp90) | HS90B_HUMAN | HSP90AB1 | HSP90B | HSPC2 | HSPCB
Type:
Molecular Chaperone
Mol. Mass.:
83229.45
Organism:
Human
Description:
P08238
Residue:
724
Sequence:
MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEEDKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRVFIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELAEDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQKSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEGLELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFETALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRMEEVD
  
Inhibitor
Name:
BDBM20926
Synonyms:
5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide | Isoxazole, 40f | VER-52296/NVP-AUY922
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: