Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50252064
Substrate
n/a
Meas. Tech.
ChEMBL_491790 (CHEMBL937861)
Ki
24000±n/a nM
Citation
 Kim, YA; Sharon, A; Chu, CK; Rais, RH; Al Safarjalani, ON; Naguib, FN; el Kouni, MH Structure-activity relationships of 7-deaza-6-benzylthioinosine analogues as ligands of Toxoplasma gondii adenosine kinase. J Med Chem 51:3934-45 (2008) [PubMed]  Article 
Target
Name:
Adenosine kinase
Synonyms:
ADK_TOXGO | AK
Type:
PROTEIN
Mol. Mass.:
38353.04
Organism:
Toxoplasma gondii
Description:
ChEMBL_629062
Residue:
363
Sequence:
MAVDSSNSATGPMRVFAIGNPILDLVAEVPSSFLDEFFLKRGDATLATPEQMRIYSTLDQFNPTSLPGGSALNSVRVVQKLLRKPGSAGYMGAIGDDPRGQVLKELCDKEGLATRFMVAPGQSTGVCAVLINEKERTLCTHLGACGSFRLPEDWTTFASGALIFYATAYTLTATPKNALEVAGYAHGIPNAIFTLNLSAPFCVELYKDAMQSLLLHTNILFGNEEEFAHLAKVHNLVAAEKTALSTANKEHAVEVCTGALRLLTAGQNTGATKLVVMTRGHNPVIAAEQTADGTVVVHEVGVPVVAAEKIVDTNGAGDAFVGGFLYALSQGKTVKQCIMCGNACAQDVIQHVGFSLSFTSLPC
  
Inhibitor
Name:
BDBM50252064
Synonyms:
4-[(4-tert-Butylbenzyl)thio]-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine | CHEMBL482106
Type:
Small organic molecule
Emp. Form.:
C22H27N3O4S
Mol. Mass.:
429.532
SMILES:
CC(C)(C)c1ccc(CSc2ncnc3n(ccc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: