Target
Phosphotransferase
Ligand
BDBM50098386
Substrate
n/a
Meas. Tech.
ChEMBL_477695 (CHEMBL931370)
Ki
3300±n/a nM
Citation
 Sanz-Rodríguez, CEConcepción, JLPekerar, SOldfield, EUrbina, JA Bisphosphonates as inhibitors of Trypanosoma cruzi hexokinase: kinetic and metabolic studies. J Biol Chem 282:12377-87 (2007) [PubMed]  Article 
Target
Name:
Phosphotransferase
Synonyms:
Hexokinase
Type:
PROTEIN
Mol. Mass.:
52180.94
Organism:
Trypanosoma cruzi
Description:
ChEMBL_330068
Residue:
471
Sequence:
MSARLNNLLQHIAVKDKDSDTMRHLKQRMALASLANQFTVGKDHLKQLMLYMVHQMIEGLEGRESTLRMLPSYVYKTDPSKATGVFYALDLGGTNFRVLRVTCKEGRVADRVDAKFVIPQQALQGTAEDLFGFIAQSVKKMMEQKAPEDLNRTVPLGFTFSFPTEQKGVDHGFLIKWTKGFSTRGVEGKDVVELLQKALKRMEVKVKVVALCNDTVGTLITNYFFDPDTQVGVIIGTGSNACYFEDAYAVTKEPSVAARGTTQTPINMECGNFDSKYKFVLPVTAYDEAMDAVTPNRNFQTQEKMVSGMYLGEISRRMIAHLAELHCLPSALASKMAKPWSFETKFMGMISADRMPGLQFTRQVFQELFQVDVTDVADLHVIRDVCCLVRGRAAQISAMFCSAPLVKTRKEGRATVAIDGSVFEKTPSFRRLLQQNMNAILGPGCDVTTALARDGSGIGAAFISALVVNDK
  
Inhibitor
Name:
BDBM50098386
Synonyms:
(1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosphonic acid | 1-hydroxy-2-(pyridin-4-yl)ethane-1,1-diyldiphosphonic acid | 2-(4-pyridyl)-1-hydroxy-ethane-1,1-bisphosphonate | 4-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium | CHEMBL55886
Type:
Small organic molecule
Emp. Form.:
C7H11NO7P2
Mol. Mass.:
283.1123
SMILES:
OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: