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Target
Sterol 14-alpha demethylase
Ligand
BDBM50276214
Substrate
n/a
Meas. Tech.
ChEMBL_1789366 (CHEMBL4261100)
Kd
4.2±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:
Sterol 14-alpha demethylase
Synonyms:
CP51_TRYCC | CYP51 | Cytochrome P450 51 | Lanosterol 14-alpha demethylase | Sterol 14α-demethylase (CYP51) | Sterol 14-alpha demethylase | Sterol 14-alpha demethylase (CYP51) | Tc14DM
Type:
Protein
Mol. Mass.:
54690.12
Organism:
Trypanosoma cruzi
Description:
Q7Z1V1
Residue:
481
Sequence:
MFIEAIVLALTALILYSVYSVKSFNTTRPTDPPVYPVTVPFLGHIVQFGKNPLEFMQRCKRDLKSGVFTISIGGQRVTIVGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPYPRMREQLNFLAEELTIAKFQNFVPAIQHEVRKFMAENWKEDEGVINLLEDCGAMIINTACQCLFGEDLRKRLNARHFAQLLSKMESSLIPAAVFMPWLLRLPLPQSARCREARAELQKILGEIIVAREKEEASKDNNTSDLLGGLLKAVYRDGTRMSLHEVCGMIVAAMFAGQHTSTITTSWSMLHLMHPKNKKWLDKLHKEIDEFPAQLNYDNVMDEMPFAERCVRESIRRDPPLLMVMRMVKAEVKVGSYVVPKGDIIACSPLLSHHDEEAFPNPRLWDPERDEKVDGAFIGFGAGVHKCIGQKFALLQVKTILATAFREYDFQLLRDEVPDPDYHTMVVGPTLNQCLVKYTRKKKLPS
  
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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