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Target
Phosphotransferase
Ligand
BDBM50098386
Substrate
n/a
Meas. Tech.
ChEMBL_330068 (CHEMBL865780)
IC50
12600±n/a nM
Citation
 Hudock, MP; Sanz-Rodríguez, CE; Song, Y; Chan, JM; Zhang, Y; Odeh, S; Kosztowski, T; Leon-Rossell, A; Concepción, JL; Yardley, V; Croft, SL; Urbina, JA; Oldfield, E Inhibition of Trypanosoma cruzi hexokinase by bisphosphonates. J Med Chem 49:215-23 (2006) [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:
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