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Target
Phosphotransferase
Ligand
BDBM50173787
Substrate
n/a
Meas. Tech.
ChEMBL_477724 (CHEMBL927022)
IC50
810±n/a nM
Citation
 Sanz-Rodríguez, CE; Concepción, JL; Pekerar, S; Oldfield, E; Urbina, 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:
BDBM50173787
Synonyms:
(3-(hydroxymethyl)phenylamino)methylenediphosphonic acid | CHEMBL443750 | [(3-Hydroxymethyl-phenylamino)-phosphono-methyl]-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C8H13NO7P2
Mol. Mass.:
297.1388
SMILES:
OCc1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1
Structure:
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