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Target
Adenosine kinase
Ligand
BDBM50049820
Substrate
n/a
Meas. Tech.
ChEMBL_1892973 (CHEMBL4394894)
IC50
16500±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:
BDBM50049820
Synonyms:
4-Amino-5-carboxamide-7-(D-ribofuranosyl)pyrrolo[2,3-d]pyrimidine | 4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid amide | 4-Amino-7-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid amide | 4-amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide | CHEMBL101892 | SANGIVAMYCIN | cid_5153
Type:
Small organic molecule
Emp. Form.:
C12H15N5O5
Mol. Mass.:
309.278
SMILES:
NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Structure:
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