Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM23617
Substrate
n/a
Meas. Tech.
ChEMBL_912301 (CHEMBL3063318)
IC50
11995±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:
BDBM23617
Synonyms:
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-9-yl)oxolane-3,4-diol | 4-nitrobenzylmercaptopurine ribonucleoside | CHEMBL418509 | NBMPR | NBTI | Nitrobenzylthioinosine
Type:
Small organic molecule
Emp. Form.:
C17H17N5O6S
Mol. Mass.:
419.412
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Structure:
Search PDB for entries with ligand similarity: