Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50240561
Substrate
n/a
Meas. Tech.
ChEMBL_912301 (CHEMBL3063318)
IC50
9290±n/a nM
Citation
  TBA Med Chem Res 21:590-600 (2012)    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:
BDBM50240561
Synonyms:
(2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol | (2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | (2R,3R,4S,5R)-2-(6-Benzylsulfanyl-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol | 6-Benzylthioinosine | CHEMBL60662
Type:
Small organic molecule
Emp. Form.:
C17H18N4O4S
Mol. Mass.:
374.414
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: