Reaction Details
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Heat shock protein HSP 90-beta
Ligand
BDBM20771
Substrate
BDBM10852
Meas. Tech.
Her-2 Degradation Assay
pH
7.2±n/a
Temperature
310.15±n/a K
EC50
30±n/a nM
Comments
EC50=30 nM in MTS cell-growth inhibition assay.
Citation
Zhang, L; Fan, J; Vu, K; Hong, K; Le Brazidec, JY; Shi, J; Biamonte, M; Busch, DJ; Lough, RE; Grecko, R; Ran, Y; Sensintaffar, JL; Kamal, A; Lundgren, K; Burrows, FJ; Mansfield, R; Timony, GA; Ulm, EH; Kasibhatla, SR; Boehm, MF 7'-substituted benzothiazolothio- and pyridinothiazolothio-purines as potent heat shock protein 90 inhibitors. J Med Chem 49:5352-62 (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:
BDBM20771
Synonyms:
Benzothiazole analogue, 24 | CHEMBL377371 | diethyl (2-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-9-yl}ethyl)phosphonate
Type:
Small organic molecule
Emp. Form.:
C18H20ClN6O3PS2
Mol. Mass.:
498.947
SMILES:
CCOP(=O)(CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12)OCC
Structure:
Substrate