Reaction Details Report a problem with these data
Target
Heat shock protein HSP 90-alpha
Ligand
BDBM32045
Substrate
cy3B-GM
Meas. Tech.
Tumor Hsp90 Inhibitors Dose Response Confirmation
pH
7.4±n/a
Temperature
296.15±n/a K
IC50
12229±n/a nM
Citation
 PubChem, PC Tumor Hsp90 Inhibitors Dose Response Confirmation PubChem Bioassay (2007)[AID] 
Target
Name:
Heat shock protein HSP 90-alpha
Synonyms:
HS90A_HUMAN | HSP 86 | HSP86 | HSP90A | HSP90AA1 | HSPC1 | HSPCA | Heat Shock Protein 90 (Hsp90) | Heat shock 86 kDa | Heat shock protein HSP 90 (HSP90) | Heat shock protein HSP 90-alpha (HSP90) | Heat shock protein HSP 90-alpha (HSP90A) | LAP-2 | LPS-associated protein 2 | Lipopolysaccharide-associated protein 2 | Renal carcinoma antigen NY-REN-38 | heat shock protein 90kDa alpha (cytosolic), class A member 1 isoform 2
Type:
Molecular Chaperone
Mol. Mass.:
84623.45
Organism:
Homo sapiens (Human)
Description:
P07900
Residue:
732
Sequence:
MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRNPDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNNIKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKCLELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDYCTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKTLVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVKDLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLEGDDDTSRMEEVD
  
Inhibitor
Name:
BDBM32045
Synonyms:
(6E)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-propyl-1-cyclohexa-2,4-dienone | (6E)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-propylcyclohexa-2,4-dien-1-one | (6E)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-4-propyl-cyclohexa-2,4-dien-1-one | (6E)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyrazolin-3-ylidene]-3-hydroxy-4-propyl-cyclohexa-2,4-dien-1-one | MLS000037071 | SMR000035056 | cid_5389514
Type:
Small organic molecule
Emp. Form.:
C21H22N2O4
Mol. Mass.:
366.4104
SMILES:
CCCc1cc(-c2n[nH]cc2-c2ccc3OCCCOc3c2)c(O)cc1O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
cy3B-GM
Synonyms:
fluorescently (Cy3B) labeled geldanamycin
Type:
fluorescent probe
Mol. Mass.:
358.43
Organism:
n/a
Description:
n/a
Residue:
3
Sequence:
NA