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Target
Phosphotransferase
Ligand
BDBM50138041
Substrate
n/a
Meas. Tech.
ChEMBL_330068 (CHEMBL865780)
IC50
3311311214826±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:
BDBM50138041
Synonyms:
1-hydroxy-3-(methyl(2-phenoxyethyl)amino)propane-1,1-diyldiphosphonic acid | CHEMBL53982 | [1-hydroxy-3-[methyl(2-phenoxyethyl)amino]propylidene-1,1-bisphosphonate | {1-hydroxy-3-[methyl-(2-phenoxy-ethyl)-amino]-1-phosphono-propyl}-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C12H21NO8P2
Mol. Mass.:
369.2446
SMILES:
CN(CCOc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
Structure:
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