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Target
Heat shock protein HSP 90-beta
Ligand
BDBM15361
Substrate
BDBM15360
Meas. Tech.
Fluorescence Polarization (FP) Assay
pH
7.4±n/a
Temperature
295.15±n/a K
IC50
150±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:
BDBM15361
Synonyms:
(1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydro-6H-oxireno[e][2]benzoxacyclotetradecine-6,12(7H)-dione | (4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0^{6,8}]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione | CHEMBL414883 | Microlactone, 1 | Monorden | Radicicol
Type:
Antibiotic
Emp. Form.:
C18H17ClO6
Mol. Mass.:
364.777
SMILES:
[H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20|
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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