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Target
Lanosterol 14-alpha demethylase
Ligand
BDBM213825
Substrate
n/a
Meas. Tech.
ChEMBL_1715250 (CHEMBL4125299)
IC50
250±n/a nM
Citation
 Friggeri, L; Hargrove, TY; Wawrzak, Z; Blobaum, AL; Rachakonda, G; Lindsley, CW; Villalta, F; Nes, WD; Botta, M; Guengerich, FP; Lepesheva, GI Sterol 14?-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis. J Med Chem 61:5679-5691 (2018) [PubMed]  Article 
Target
Name:
Lanosterol 14-alpha demethylase
Synonyms:
1.14.14.154 | CP51_CANAL | CYP51 | CYPLI | Cytochrome P450 51 | Cytochrome P450-14DM | Cytochrome P450-LIA1 | ERG11 | ERG16 | ERG16 | Lanosterol 14-alpha demethylase | Sterol 14-alpha demethylase
Type:
PROTEIN
Mol. Mass.:
60679.24
Organism:
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)
Description:
ChEMBL_58
Residue:
528
Sequence:
MAIVETVIDGINYFLSLSVTQQISILLGVPFVYNLVWQYLYSLRKDRAPLVFYWIPWFGSAASYGQQPYEFFESCRQKYGDVFSFMLLGKIMTVYLGPKGHEFVFNAKLSDVSAEDAYKHLTTPVFGKGVIYDCPNSRLMEQKKFAKFALTTDSFKRYVPKIREEILNYFVTDESFKLKEKTHGVANVMKTQPEITIFTASRSLFGDEMRRIFDRSFAQLYSDLDKGFTPINFVFPNLPLPHYWRRDAAQKKISATYMKEIKSRRERGDIDPNRDLIDSLLIHSTYKDGVKMTDQEIANLLIGILMGGQHTSASTSAWFLLHLGEKPHLQDVIYQEVVELLKEKGGDLNDLTYEDLQKLPSVNNTIKETLRMHMPLHSIFRKVTNPLRIPETNYIVPKGHYVLVSPGYAHTSERYFDNPEDFDPTRWDTAAAKANSVSFNSSDEVDYGFGKVSKGVSSPYLPFGGGRHRCIGEQFAYVQLGTILTTFVYNLRWTIDGYKVPDPDYSSMVVLPTEPAEIIWEKRETCMF
  
Inhibitor
Name:
BDBM213825
Synonyms:
VNI
Type:
Small organic molecule
Emp. Form.:
C26H19Cl2N5O2
Mol. Mass.:
504.367
SMILES:
Clc1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(Cl)c1 |r|
Structure:
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