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Target
Phosphotransferase
Ligand
BDBM50180152
Substrate
n/a
Meas. Tech.
ChEMBL_477694 (CHEMBL931371)
Ki
1700±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:
BDBM50180152
Synonyms:
(9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisphosphonate | CHEMBL200262 | [(9-ethyl-9H-carbazol-3-ylamino)-phosphono-methyl]-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C15H18N2O6P2
Mol. Mass.:
384.2607
SMILES:
CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Structure:
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