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Target
Putative lanosterol 14-alpha-demethylase
Ligand
BDBM213822
Substrate
n/a
Meas. Tech.
CYP51 Inhibition Assay
pH
7.4±n/a
Temperature
310.15±n/a K
Kd
419± 19 nM
Comments
extracted
Citation
 Hargrove, TY; Wawrzak, Z; Alexander, PW; Chaplin, JH; Keenan, M; Charman, SA; Perez, CJ; Waterman, MR; Chatelain, E; Lepesheva, GI Complexes of Trypanosoma cruzi sterol 14a-demethylase (CYP51) with two pyridine-based drug candidates for Chagas disease: structural basis for pathogen selectivity. J Biol Chem 288:31602-15 (2013) [PubMed]  Article 
Target
Name:
Putative lanosterol 14-alpha-demethylase
Synonyms:
Sterol 14α-demethylase (CYP51)
Type:
Protein
Mol. Mass.:
54162.02
Organism:
Leishmania infantum
Description:
A2TEF2
Residue:
480
Sequence:
MIGELLLLLAAGLALYGWYFCKSFNTTRPTDPPVVHGTTPFVGHIIQFGKDPLGFMLKAKKKYGGIFTMNICGNRITVVGDVHQHSKFFTPRNEILSPREVYSFMVPVFGEGVAYAAPYPRMREQLNFLAEELTVAKFQNFAPSIQHEVRKFMKANWNKDEGEINILDDCSAMIINTACQCLFGEDLRKRLDARQFAQLLAKMESCLIPAAVFLPWILKLPLPQSYRCRDARAELQDILSEIIIAREKEEAQKDTNTSDLLAGLLGAVYRDGTRMSQHEVCGMIVAAMFAGQHTSTITTTWSLLHLMDPRNKRHLAKLHQEIDEFPAQLNYDNVMEEMPFAEQCARESIRRDPPLVMLMRKVLKPVQVGKYVVPEGDIIACSPLLSHQDEEAFPNPREWNPERNMKLVDGAFCGFGAGVHKCIGEKFGLLQVKTVLATVLRDYDFELLGPLPEPNYHTMVVGPTASQCRVKYIKKKKAAA
  
Inhibitor
Name:
BDBM213822
Synonyms:
EPL-BS0967 (UDD)
Type:
Small organic molecule
Emp. Form.:
C23H20F6N4
Mol. Mass.:
466.4221
SMILES:
FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cccnc1
Structure:
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