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Target
Heat shock protein HSP 90-beta
Ligand
BDBM15359
Substrate
BDBM15360
Meas. Tech.
Fluorescence Polarization (FP) Assay
pH
7.4±n/a
Temperature
295.15±n/a K
IC50
1270±n/a nM
Citation
 Barril, X; Brough, P; Drysdale, M; Hubbard, RE; Massey, A; Surgenor, A; Wright, L Structure-based discovery of a new class of Hsp90 inhibitors. Bioorg Med Chem Lett 15:5187-91 (2005) [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:
BDBM15359
Synonyms:
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-en-1-ylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate | 17-(Allylamino)geldanamycin | 17-AAG | 17AAG | CHEMBL109480 | GLD-36 | Tanespimycin
Type:
Small organic molecule
Emp. Form.:
C31H43N3O8
Mol. Mass.:
585.6884
SMILES:
CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28|
Structure:
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Substrate
Name:
BDBM15360
Synonyms:
5-[({4-[3-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]phenyl}methyl)carbamoyl]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid | Fluorescence polarization assay probe | VER-00045864
Type:
Small organic molecule
Emp. Form.:
C37H24ClN3O8
Mol. Mass.:
674.055
SMILES:
OC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)NCc1ccc(cc1)-c1c[nH]nc1-c1cc(Cl)c(O)cc1O |(5.91,5.15,;7,6.24,;8.09,5.15,;6.6,7.72,;5.1,7.36,;4.04,8.47,;4.47,9.95,;5.97,10.32,;7.03,9.2,;8.53,9.56,;9.01,11.03,;7.99,12.18,;8.47,13.64,;9.97,13.95,;10.37,15.44,;11,12.8,;10.52,11.34,;11.55,10.19,;11.06,8.73,;12.09,7.58,;11.61,6.12,;12.38,4.79,;10.1,5.81,;9.07,6.95,;9.56,8.42,;2.56,8.05,;2.19,6.55,;1.45,9.11,;-.03,8.69,;-.4,7.19,;.71,6.12,;.34,4.63,;-1.14,4.2,;-2.25,5.27,;-1.88,6.76,;-1.46,2.7,;-.44,1.55,;-1.22,.22,;-2.72,.54,;-2.87,2.08,;-4.21,2.85,;-4.21,4.39,;-5.54,5.16,;-5.54,6.7,;-6.88,4.39,;-8.21,5.16,;-6.88,2.85,;-5.54,2.08,;-5.54,.54,)|
Structure:
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