Reaction Details Report a problem with these data
Target
Phosphotransferase
Ligand
BDBM50173799
Substrate
n/a
Meas. Tech.
ChEMBL_477724 (CHEMBL927022)
IC50
950±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
More Info.:
Target
Name:
Phosphotransferase
Synonyms:
Hexokinase
Type:
PROTEIN
Mol. Mass.:
52180.94
Organism:
Trypanosoma cruzi
Description:
ChEMBL_330068
Residue:
471
Sequence:
MSARLNNLLQHIAVKDKDSDTMRHLKQRMALASLANQFTVGKDHLKQLMLYMVHQMIEGLEGRESTLRMLPSYVYKTDPSKATGVFYALDLGGTNFRVLRVTCKEGRVADRVDAKFVIPQQALQGTAEDLFGFIAQSVKKMMEQKAPEDLNRTVPLGFTFSFPTEQKGVDHGFLIKWTKGFSTRGVEGKDVVELLQKALKRMEVKVKVVALCNDTVGTLITNYFFDPDTQVGVIIGTGSNACYFEDAYAVTKEPSVAARGTTQTPINMECGNFDSKYKFVLPVTAYDEAMDAVTPNRNFQTQEKMVSGMYLGEISRRMIAHLAELHCLPSALASKMAKPWSFETKFMGMISADRMPGLQFTRQVFQELFQVDVTDVADLHVIRDVCCLVRGRAAQISAMFCSAPLVKTRKEGRATVAIDGSVFEKTPSFRRLLQQNMNAILGPGCDVTTALARDGSGIGAAFISALVVNDK
Inhibitor
Name:
BDBM50173799
Synonyms:
(3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate | (3-bromophenylamino)methylenediphosphonic acid | CHEMBL370662 | [(3-bromo-phenylamino)-phosphono-methyl]-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C7H10BrNO6P2
Mol. Mass.:
346.009
SMILES:
OP(O)(=O)C(Nc1cccc(Br)c1)P(O)(O)=O