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Target
Heat shock protein HSP 90-beta
Ligand
BDBM50557199
Substrate
n/a
Meas. Tech.
ChEMBL_2058205 (CHEMBL4713206)
IC50
426±n/a nM
Citation
 Mishra, SJ; Liu, W; Beebe, K; Banerjee, M; Kent, CN; Munthali, V; Koren, J; Taylor, JA; Neckers, LM; Holzbeierlein, J; Blagg, BSJ The Development of Hsp90?-Selective Inhibitors to Overcome Detriments Associated with  J Med Chem 64:1545-1557 (2021) [PubMed]  Article
Target
Name:
Heat shock protein HSP 90-beta
Synonyms:
HS90B_HUMAN | HSP 84 | HSP 90 | HSP90AB1 | HSP90B | HSPC2 | HSPCB | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 (Hsp90)
Type:
Molecular Chaperone
Mol. Mass.:
83229.45
Organism:
Homo sapiens (Human)
Description:
P08238
Residue:
724
Sequence:
MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEEDKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRVFIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELAEDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQKSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEGLELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFETALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRMEEVD
  
Inhibitor
Name:
BDBM50557199
Synonyms:
CHEMBL4786075
Type:
Small organic molecule
Emp. Form.:
C27H35N5O2
Mol. Mass.:
461.5991
SMILES:
CCCc1cc2cc(cc(N3CCN(C)CC3)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O
Structure:
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