Reaction Details Report a problem with these data
Target
60 kDa heat shock protein, mitochondrial
Ligand
BDBM50335519
Substrate
n/a
Meas. Tech.
ChEMBL_1797985 (CHEMBL4270102)
IC50
>100000±n/a nM
Citation
 Kunkle, T; Abdeen, S; Salim, N; Ray, AM; Stevens, M; Ambrose, AJ; Victorino, J; Park, Y; Hoang, QQ; Chapman, E; Johnson, SM Hydroxybiphenylamide GroEL/ES Inhibitors Are Potent Antibacterials against Planktonic and Biofilm Forms of Staphylococcus aureus. J Med Chem 61:10651-10664 (2018) [PubMed]  Article 
Target
Name:
60 kDa heat shock protein, mitochondrial
Synonyms:
3.6.4.9 | 60 kDa chaperonin | 60 kDa heat shock protein, mitochondrial | CH60_HUMAN | CPN60 | Chaperonin 60 | HSP-60 | HSP60 | HSP60/HSP10 | HSPD1 | Heat shock protein 60 | HuCHA60 | Mitochondrial matrix protein P1 | P60 lymphocyte protein
Type:
PROTEIN
Mol. Mass.:
61050.41
Organism:
Homo sapiens
Description:
ChEMBL_117701
Residue:
573
Sequence:
MLRLPTVFRQMRPVSRVLAPHLTRAYAKDVKFGADARALMLQGVDLLADAVAVTMGPKGRTVIIEQSWGSPKVTKDGVTVAKSIDLKDKYKNIGAKLVQDVANNTNEEAGDGTTTATVLARSIAKEGFEKISKGANPVEIRRGVMLAVDAVIAELKKQSKPVTTPEEIAQVATISANGDKEIGNIISDAMKKVGRKGVITVKDGKTLNDELEIIEGMKFDRGYISPYFINTSKGQKCEFQDAYVLLSEKKISSIQSIVPALEIANAHRKPLVIIAEDVDGEALSTLVLNRLKVGLQVVAVKAPGFGDNRKNQLKDMAIATGGAVFGEEGLTLNLEDVQPHDLGKVGEVIVTKDDAMLLKGKGDKAQIEKRIQEIIEQLDVTTSEYEKEKLNERLAKLSDGVAVLKVGGTSDVEVNEKKDRVTDALNATRAAVEEGIVLGGGCALLRCIPALDSLTPANEDQKIGIEIIKRTLKIPAMTIAKNAGVEGSLIVEKIMQSSSEVGYDAMAGDFVNMVEKGIIDPTKVVRTALLDAAGVASLLTTAEVVVTEIPKEEKDPGMGAMGGMGGGMGGGMF
  
Inhibitor
Name:
BDBM50335519
Synonyms:
(S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-((S)-6-hydroxy-2-imino-hexahydro-pyrimidin-4-yl)-9,12-bis-hydroxymethyl-2,5,8,11,14-pentaoxo-6-[1-ureido-meth-(Z)-ylidene]-1,4,7,10,13pentaaza-cyclohexadec-15-yl}-amide | 4-Naphthalen-2-ylmethyl-4,5-dihydro-1H-imidazole | CHEMBL262777 | Chloroorienticin B derivative | Glycopeptide antibiotic | Mannopeptimycin Glycopeptide | Mannopeptimycin glycopeptide analogue | N-demethylvancomycin derivative | Poly ethylene glycol derivative | Tuberactinomycin Analogue | Vancocin | Vancoled | Vancor | Viomycin derivative | vancomycin | vanomycin
Type:
Small organic molecule
Emp. Form.:
C66H75Cl2N9O24
Mol. Mass.:
1449.254
SMILES:
CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 |r|
Structure:
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