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Target
Adenosine kinase
Ligand
BDBM50524385
Substrate
n/a
Meas. Tech.
ChEMBL_1892980 (CHEMBL4394901)
Ki
1600±n/a nM
Citation
 Crespo, RA; Dang, Q; Zhou, NE; Guthrie, LM; Snavely, TC; Dong, W; Loesch, KA; Suzuki, T; You, L; Wang, W; O'Malley, T; Parish, T; Olsen, DB; Sacchettini, JC Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase. J Med Chem 62:4483-4499 (2019) [PubMed]  Article 
Target
Name:
Adenosine kinase
Synonyms:
ADK | ADK_HUMAN
Type:
PROTEIN
Mol. Mass.:
40545.97
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1467841
Residue:
362
Sequence:
MAAAEEEPKPKKLKVEAPQALRENILFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAEDKHKELFDELVKKFKVEYHAGGSTQNSIKVAQWMIQQPHKAATFFGCIGIDKFGEILKRKAAEAHVDAHYYEQNEQPTGTCAACITGDNRSLIANLAAANCYKKEKHLDLEKNWMLVEKARVCYIAGFFLTVSPESVLKVAHHASENNRIFTLNLSAPFISQFYKESLMKVMPYVDILFGNETEAATFAREQGFETKDIKEIAKKTQALPKMNSKRQRIVIFTQGRDDTIMATESEVTAFAVLDQDQKEIIDTNGAGDAFVGGFLSQLVSDKPLTECIRAGHYAASIIIRRTGCTFPEKPDFH
  
Inhibitor
Name:
BDBM50524385
Synonyms:
CHEMBL4463459
Type:
Small organic molecule
Emp. Form.:
C26H26F3N7O4
Mol. Mass.:
557.5243
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccc(nc1)C(F)(F)F |r|
Structure:
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