Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50316793
Substrate
n/a
Meas. Tech.
ChEMBL_629062 (CHEMBL1121020)
Ki
105100±n/a nM
Citation
 Kim, YA; Rawal, RK; Yoo, J; Sharon, A; Jha, AK; Chu, CK; Rais, RH; Al Safarjalani, ON; Naguib, FN; El Kouni, MH Structure-activity relationships of carbocyclic 6-benzylthioinosine analogues as subversive substrates of Toxoplasma gondii adenosine kinase. Bioorg Med Chem 18:3403-12 (2010) [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:
BDBM50316793
Synonyms:
(1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethyl)cyclopentan-1-yl]-6-benzylthiopurine | CHEMBL1097538
Type:
Small organic molecule
Emp. Form.:
C18H20N4O3S
Mol. Mass.:
372.441
SMILES:
OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: