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TargetSterol 14α-demethylase (CYP51)
LigandBDBM50375303
Substrate/Competitorn/a
Meas. Tech.ChEMBL_470779
IC50 800±n/a nM
Citation Ekins, SMankowski, DCHoover, DJLawton, MPTreadway, JLHarwood, HJ Three-dimensional quantitative structure-activity relationship analysis of human CYP51 inhibitors. Drug Metab Dispos35:493-500 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Sterol 14α-demethylase (CYP51)
Name:Cytochrome P450 51
Synonyms:CYPLI | Cytochrome P450 51 | Cytochrome P450 51A1 | LDM | Lanosterol 14-alpha demethylase | P450-14DM | P45014DM | P450LI | Sterol 14-alpha demethylase
Type:Protein
Mol. Mass.:56817.21
Organism:Homo sapiens (Human)
Description:Q16850
Residue:503
Sequence:
MLLLGLLQAGGSVLGQAMEKVTGGNLLSMLLIACAFTLSLVYLIRLAAGHLVQLPAGVKS
PPYIFSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAAALLFNS
KNEDLNAEDVYSRLTTPVFGKGVAYDVPNPVFLEQKKMLKSGLNIAHFKQHVSIIEKETK
EYFESWGESGEKNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWL
LPGWLPLPSFRRRDRAHREIKDIFYKAIQKRRQSQEKIDDILQTLLDATYKDGRPLTDDE
VAGMLIGLLLAGQHTSSTTSAWMGFFLARDKTLQKKCYLEQKTVCGENLPPLTYDQLKDL
NLLDRCIKETLRLRPPIMIMMRMARTPQTVAGYTIPPGHQVCVSPTVNQRLKDSWVERLD
FNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDLIDGYFP
TVNYTTMIHTPENPVIRYKRRSK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50375303
NameBDBM50375303
Synonyms:CHEMBL259552
TypeSmall organic molecule
Emp. Form.C23H23ClFN3O3
Mol. Mass.443.898
SMILESOC1CCN(CC1)C(=O)[C@H](Cc1ccccc1F)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a