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Target
Adenosine kinase
Ligand
BDBM50524389
Substrate
n/a
Meas. Tech.
ChEMBL_1892973 (CHEMBL4394894)
Ki
21±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:
2.7.1.20 | ADK | ADOK_MYCTU | Adenosine kinase | adoK | cbhK
Type:
PROTEIN
Mol. Mass.:
34457.04
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_119021
Residue:
324
Sequence:
MTIAVTGSIATDHLMRFPGRFSEQLLPEHLHKVSLSFLVDDLVMHRGGVAGNMAFAIGVLGGEVALVGAAGADFADYRDWLKARGVNCDHVLISETAHTARFTCTTDVDMAQIASFYPGAMSEARNIKLADVVSAIGKPELVIIGANDPEAMFLHTEECRKLGLAFAADPSQQLARLSGEEIRRLVNGAAYLFTNDYEWDLLLSKTGWSEADVMAQIDLRVTTLGPKGVDLVEPDGTTIHVGVVPETSQTDPTGVGDAFRAGFLTGRSAGLGLERSAQLGSLVAVLVLESTGTQEWQWDYEAAASRLAGAYGEHAAAEIVAVLA
  
Inhibitor
Name:
BDBM50524389
Synonyms:
CHEMBL4525944
Type:
Small organic molecule
Emp. Form.:
C27H27F3N6O4
Mol. Mass.:
556.5363
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r|
Structure:
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