Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM61982
Substrate
n/a
Meas. Tech.
Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series
IC50
25000±n/a nM
Citation
 PubChem, PC Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series PubChem Bioassay (2010)[AID] 
Target
Name:
Phosphotransferase
Synonyms:
hexokinase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51160.00
Organism:
Trypanosoma brucei
Description:
gi_70832125
Residue:
471
Sequence:
MSRRLNNILEHISIQGNDGETVRAVKRDVAMAALTNQFTMSVESMRQIMTYLLYEMVEGLEGRESTVRMLPSYVYKADPKRATGVFYALDLGGTNFRVLRVACKEGAVVDSSTSAFKIPKYALEGNATDLFDFIASNVKKTMETRAPEDLNRTVPLGFTFSFPVEQTKVNRGVLIRWTKGFSTKGVQGNDVIALLQAAFGRVSLKVNVVALCNDTVATMISHYFKDPEVQVGVIIGTGSNACYFETASAVTKDPAVAARGSALTPISMESGNFDSKYRFVLPTTKFDLDIDDASLNKGQQALEKMISGMYLGEIARRVIVHLSSINCLPAALQTALGNRGSFESRFAGMISADRMPGLQFTRSTIQKVCGVDVQSIEDLRIIRDVCRLVRGRAAQLSASFCCAPLVKTQTQGRATIAIDGSVFEKIPSFRRVLQDNINRILGPECDVRAVLAKGGSGVGAALISAIVADGK
  
Inhibitor
Name:
BDBM61982
Synonyms:
3-(p-anisoylamino)isonicotinic acid | 3-[(4-methoxybenzoyl)amino]pyridine-4-carboxylic acid | 3-[(4-methoxyphenyl)carbonylamino]pyridine-4-carboxylic acid | 3-[[(4-methoxyphenyl)-oxomethyl]amino]-4-pyridinecarboxylic acid | KSC-6-258 | KUC105714N | cid_45489601
Type:
Small organic molecule
Emp. Form.:
C14H12N2O4
Mol. Mass.:
272.2561
SMILES:
COc1ccc(cc1)C(=O)Nc1cnccc1C(O)=O
Structure:
Search PDB for entries with ligand similarity: