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Target
Heat shock protein HSP 90-beta
Ligand
BDBM50013699
Substrate
n/a
Meas. Tech.
ChEMBL_1349362 (CHEMBL3269585)
IC50
280000±n/a nM
Citation
 Bhat, R; Adam, AT; Lee, JJ; Gasiewicz, TA; Henry, EC; Rotella, DP Towards the discovery of drug-like epigallocatechin gallate analogs as Hsp90 inhibitors. Bioorg Med Chem Lett 24:2263-6 (2014) [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:
Human
Description:
P08238
Residue:
724
Sequence:
MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEEDKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRVFIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELAEDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQKSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEGLELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFETALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRMEEVD
  
Inhibitor
Name:
BDBM50013699
Synonyms:
CHEMBL3264534
Type:
Small organic molecule
Emp. Form.:
C22H24O8
Mol. Mass.:
416.4212
SMILES:
O[C@H]1CC[C@H](CC1)C(=O)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r,wU:10.10,4.7,1.0,wD:21.24,(60.47,-41.94,;59.14,-41.17,;57.8,-41.94,;56.47,-41.16,;56.48,-39.62,;57.81,-38.85,;59.14,-39.62,;55.15,-38.85,;53.82,-39.62,;55.16,-37.31,;53.82,-36.54,;52.48,-37.31,;51.14,-36.53,;49.81,-37.3,;49.81,-38.84,;48.47,-36.53,;48.48,-34.98,;47.14,-34.21,;49.8,-34.21,;51.14,-34.98,;52.48,-34.2,;53.83,-34.98,;55.16,-34.21,;56.49,-35,;57.83,-34.23,;57.83,-32.69,;59.17,-31.92,;56.49,-31.92,;56.49,-30.38,;55.16,-32.69,)|
Structure:
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