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Target
Putative lanosterol 14-alpha-demethylase
Ligand
BDBM50276214
Substrate
n/a
Meas. Tech.
ChEMBL_1789367 (CHEMBL4261101)
Kd
1.7±n/a nM
Citation
 Friggeri, L; Hargrove, TY; Rachakonda, G; Blobaum, AL; Fisher, P; de Oliveira, GM; da Silva, CF; Soeiro, MNC; Nes, WD; Lindsley, CW; Villalta, F; Guengerich, FP; Lepesheva, GI Sterol 14?-Demethylase Structure-Based Optimization of Drug Candidates for Human Infections with the Protozoan Trypanosomatidae. J Med Chem 61:10910-10921 (2018) [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:
BDBM50276214
Synonyms:
CHEMBL4129161
Type:
Small organic molecule
Emp. Form.:
C26H17Cl2F2N5O2
Mol. Mass.:
540.348
SMILES:
Fc1ccc(cc1F)-c1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl |r|
Structure:
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