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Target
Heat shock protein HSP 90-alpha
Ligand
BDBM50031731
Substrate
n/a
Meas. Tech.
ChEMBL_1432555 (CHEMBL3387537)
IC50
>10000±n/a nM
Citation
 McBride, CM; Levine, B; Xia, Y; Bellamacina, C; Machajewski, T; Gao, Z; Renhowe, P; Antonios-McCrea, W; Barsanti, P; Brinner, K; Costales, A; Doughan, B; Lin, X; Louie, A; McKenna, M; Mendenhall, K; Poon, D; Rico, A; Wang, M; Williams, TE; Abrams, T; Fong, S; Hendrickson, T; Lei, D; Lin, J; Menezes, D; Pryer, N; Taverna, P; Xu, Y; Zhou, Y; Shafer, CM Design, structure-activity relationship, and in vivo characterization of the development candidate NVP-HSP990. J Med Chem 57:9124-9 (2014) [PubMed]  Article 
Target
Name:
Heat shock protein HSP 90-alpha
Synonyms:
HS90A_HUMAN | HSP 86 | HSP86 | HSP90A | HSP90AA1 | HSPC1 | HSPCA | Heat Shock Protein 90 (Hsp90) | Heat shock 86 kDa | Heat shock protein HSP 90 (HSP90) | Heat shock protein HSP 90-alpha (HSP90) | Heat shock protein HSP 90-alpha (HSP90A) | LAP-2 | LPS-associated protein 2 | Lipopolysaccharide-associated protein 2 | Renal carcinoma antigen NY-REN-38 | heat shock protein 90kDa alpha (cytosolic), class A member 1 isoform 2
Type:
Molecular Chaperone
Mol. Mass.:
84623.45
Organism:
Homo sapiens (Human)
Description:
P07900
Residue:
732
Sequence:
MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRNPDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNNIKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKCLELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDYCTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKTLVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVKDLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLEGDDDTSRMEEVD
  
Inhibitor
Name:
BDBM50031731
Synonyms:
CHEMBL3360309
Type:
Small organic molecule
Emp. Form.:
C21H21N5O3
Mol. Mass.:
391.4231
SMILES:
COc1ccc(-c2cccc(OC)n2)c(c1)[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r|
Structure:
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