Reaction Details
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Heat shock protein HSP 90-beta
Ligand
BDBM20745
Substrate
BDBM10852
Meas. Tech.
Her-2 Degradation Assay
pH
7.2±n/a
Temperature
310.15±n/a K
EC50
280±n/a nM
Comments
IC50=0.7 uM in MTS cell-growth inhibition assay.
Citation
Biamonte, MA; Shi, J; Hong, K; Hurst, DC; Zhang, L; Fan, J; Busch, DJ; Karjian, PL; Maldonado, AA; Sensintaffar, JL; Yang, YC; Kamal, A; Lough, RE; Lundgren, K; Burrows, FJ; Timony, GA; Boehm, MF; Kasibhatla, SR Orally active purine-based inhibitors of the heat shock protein 90. J Med Chem 49:817-28 (2006) [PubMed] Article More Info.:
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:
BDBM20745
Synonyms:
8-Sulfanyladenine | 8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-(pent-4-yn-1-yl)-9H-purin-6-amine | CHEMBL191635 | Pent-4-ynyl analogue, 4
Type:
Small organic molecule
Emp. Form.:
C17H16IN5OS
Mol. Mass.:
465.311
SMILES:
COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
Structure:
Substrate