Target
Phosphotransferase
Ligand
BDBM61976
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:
BDBM61976
Synonyms:
3-(p-anisoylamino)isonicotinic acid ethyl ester | 3-[[(4-methoxyphenyl)-oxomethyl]amino]-4-pyridinecarboxylic acid ethyl ester | KSC-6-242 | KUC105708N | cid_45489604 | ethyl 3-[(4-methoxybenzoyl)amino]pyridine-4-carboxylate | ethyl 3-[(4-methoxyphenyl)carbonylamino]pyridine-4-carboxylate
Type:
Small organic molecule
Emp. Form.:
C16H16N2O4
Mol. Mass.:
300.3092
SMILES:
CCOC(=O)c1ccncc1NC(=O)c1ccc(OC)cc1
Structure:
Search PDB for entries with ligand similarity: