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Target
Heat shock cognate 71 kDa protein
Ligand
BDBM50443566
Substrate
n/a
Meas. Tech.
ChEMBL_1279153 (CHEMBL3095088)
Kd
1000±n/a nM
Citation
 Li, X; Srinivasan, SR; Connarn, J; Ahmad, A; Young, ZT; Kabza, AM; Zuiderweg, ER; Sun, D; Gestwicki, JE Analogs of the Allosteric Heat Shock Protein 70 (Hsp70) Inhibitor, MKT-077, as Anti-Cancer Agents. ACS Med Chem Lett 4:1042-7 (2013) [PubMed]  Article 
Target
Name:
Heat shock cognate 71 kDa protein
Synonyms:
HSC70 | HSP73 | HSP7C_HUMAN | HSPA10 | HSPA8 | heat shock 70kDa protein 8 isoform 1 | heat shock 70kDa protein 8 isoform 2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
70887.67
Organism:
Homo sapiens (Human)
Description:
gi_5729877
Residue:
646
Sequence:
MSKGPAVGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVAMNPTNTVFDAKRLIGRRFDDAVVQSDMKHWPFMVVNDAGRPKVQVEYKGETKSFYPEEVSSMVLTKMKEIAEAYLGKTVTNAVVTVPAYFNDSQRQATKDAGTIAGLNVLRIINEPTAAAIAYGLDKKVGAERNVLIFDLGGGTFDVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVNHFIAEFKRKHKKDISENKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGIDFYTSITRARFEELNADLFRGTLDPVEKALRDAKLDKSQIHDIVLVGGSTRIPKIQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAILSGDKSENVQDLLLLDVTPLSLGIETAGGVMTVLIKRNTTIPTKQTQTFTTYSDNQPGVLIQVYEGERAMTKDNNLLGKFELTGIPPAPRGVPQIEVTFDIDANGILNVSAVDKSTGKENKITITNDKGRLSKEDIERMVQEAEKYKAEDEKQRDKVSSKNSLESYAFNMKATVEDEKLQGKINDEDKQKILDKCNEIINWLDKNQTAEKEEFEHQQKELEKVCNPIITKLYQSAGGMPGGMPGGFPGGGAPPSGGASSGPTIEEVD
  
Inhibitor
Name:
BDBM50443566
Synonyms:
CHEMBL3091931
Type:
Small organic molecule
Emp. Form.:
C36H44F3N6O3S3
Mol. Mass.:
761.963
SMILES:
CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2cc(ccc2N1C)C(F)(F)F |r,w:37.41,8.9|
Structure:
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