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Target
Lanosterol 14-alpha demethylase
Ligand
BDBM50505767
Substrate
n/a
Meas. Tech.
ChEMBL_1823976 (CHEMBL4323740)
Kd
2320±n/a nM
Citation
 Friggeri, L; Hargrove, TY; Wawrzak, Z; Guengerich, FP; Lepesheva, GI Validation of Human Sterol 14?-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors. J Med Chem 62:10391-10401 (2019) [PubMed]  Article 
Target
Name:
Lanosterol 14-alpha demethylase
Synonyms:
CP51A_HUMAN | CYP51 | CYP51A1 | CYPLI | Cytochrome P450 51 | Cytochrome P450 51A1 | LDM | Lanosterol 14-alpha demethylase | P450-14DM | P45014DM | P450LI | Sterol 14α-demethylase (CYP51) | Sterol 14-alpha demethylase
Type:
Protein
Mol. Mass.:
56817.21
Organism:
Homo sapiens (Human)
Description:
Q16850
Residue:
509
Sequence:
MAAAAGMLLLGLLQAGGSVLGQAMEKVTGGNLLSMLLIACAFTLSLVYLIRLAAGHLVQLPAGVKSPPYIFSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAAALLFNSKNEDLNAEDVYSRLTTPVFGKGVAYDVPNPVFLEQKKMLKSGLNIAHFKQHVSIIEKETKEYFESWGESGEKNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWLLPGWLPLPSFRRRDRAHREIKDIFYKAIQKRRQSQEKIDDILQTLLDATYKDGRPLTDDEVAGMLIGLLLAGQHTSSTTSAWMGFFLARDKTLQKKCYLEQKTVCGENLPPLTYDQLKDLNLLDRCIKETLRLRPPIMIMMRMARTPQTVAGYTIPPGHQVCVSPTVNQRLKDSWVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDLIDGYFPTVNYTTMIHTPENPVIRYKRRSK
  
Inhibitor
Name:
BDBM50505767
Synonyms:
CHEMBL4472919
Type:
Small organic molecule
Emp. Form.:
C39H30FN5O3
Mol. Mass.:
635.6856
SMILES:
COc1ccc(cc1)-c1cc(ccc1[C@H](Cn1ccnc1)NC(=O)c1ccc(cc1)-c1nnc(o1)-c1ccccc1)-c1ccc(F)cc1 |r|
Structure:
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