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Target
Phosphotransferase
Ligand
BDBM50135827
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:
BDBM50135827
Synonyms:
(Bis-phosphono-methyl)-propyl-ammonium | (phosphono-propylamino-methyl)-phosphonic acid | (propylamino)methylenediphosphonic acid | CHEMBL299717 | propylaminomethylene-1,1-bisphosphonate
Type:
Small organic molecule
Emp. Form.:
C4H13NO6P2
Mol. Mass.:
233.0966
SMILES:
CCCN=C(P(O)(O)O)P(O)(O)=O |w:3.2|
Structure:
Search PDB for entries with ligand similarity: