Target
Heat shock protein HSP 90-beta
Ligand
BDBM15359
Substrate
BDBM15527
Meas. Tech.
Fluorescence Polarization (FP) Assay and Cell Growth Inhibition (SRB) Assay
pH
7.4±n/a
Temperature
295.15±n/a K
IC50
1270±n/a nM
EC50
160±n/a nM
Citation
 Brough, PAAherne, WBarril, XBorgognoni, JBoxall, KCansfield, JECheung, KMCollins, IDavies, NGDrysdale, MJDymock, BEccles, SAFinch, HFink, AHayes, AHowes, RHubbard, REJames, KJordan, AMLockie, AMartins, VMassey, AMatthews, TPMcDonald, ENorthfield, CJPearl, LHProdromou, CRay, SRaynaud, FIRoughley, SDSharp, SYSurgenor, AWalmsley, DLWebb, PWood, MWorkman, PWright, L 4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer. J Med Chem 51:196-218 (2008) [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:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM15527
Synonyms:
5-[({4-[3-(5-chloro-2,4-dihydroxyphenyl)-5-(ethylcarbamoyl)-1H-pyrazol-4-yl]phenyl}methyl)carbamoyl]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid | Fluorescence polarization assay probe | VER-00051001
Type:
Fluorescently labeled probe
Emp. Form.:
C40H29ClN4O9
Mol. Mass.:
745.133
SMILES:
CCNC(=O)c1[nH]nc(c1-c1ccc(CNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1)-c1cc(Cl)c(O)cc1O |(4.42,-.65,;3.52,.6,;1.99,.45,;1.09,1.7,;1.73,3.1,;-.44,1.55,;-1.22,.22,;-2.72,.54,;-2.87,2.08,;-1.46,2.7,;-1.14,4.2,;.34,4.63,;.71,6.12,;-.4,7.19,;-.03,8.69,;1.45,9.11,;2.56,8.05,;2.19,6.55,;4.04,8.47,;4.47,9.95,;5.97,10.32,;7.03,9.2,;6.6,7.72,;5.1,7.36,;7,6.24,;5.91,5.15,;8.09,5.15,;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,;-1.88,6.76,;-2.25,5.27,;-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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