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Target
Heat shock protein HSP 90-beta
Ligand
BDBM50013707
Substrate
n/a
Meas. Tech.
ChEMBL_1349362 (CHEMBL3269585)
IC50
440000±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:
Homo sapiens (Human)
Description:
P08238
Residue:
724
Sequence:
MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEEDKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRVFIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELAEDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQKSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEGLELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFETALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRMEEVD
  
Inhibitor
Name:
BDBM50013707
Synonyms:
CHEMBL3264539
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:4.7,wD:21.24,10.10,1.0,(67.59,-55.41,;66.26,-54.64,;66.25,-53.09,;64.92,-52.32,;63.6,-53.09,;63.59,-54.63,;64.92,-55.41,;62.27,-52.32,;60.93,-53.09,;62.27,-50.78,;60.94,-50.01,;59.59,-50.78,;58.25,-50,;56.92,-50.77,;56.92,-52.31,;55.59,-50,;55.59,-48.45,;54.26,-47.68,;56.92,-47.68,;58.26,-48.45,;59.6,-47.67,;60.94,-48.45,;62.28,-47.68,;63.61,-48.47,;64.94,-47.7,;64.95,-46.16,;66.28,-45.39,;63.61,-45.39,;63.6,-43.85,;62.28,-46.16,)|
Structure:
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