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TargetSterol 14α-demethylase (CYP51)
LigandBDBM50370232
Substrate/Competitorn/a
Meas. Tech.ChEMBL_470779
IC50 30000±n/a nM
Citation Ekins SMankowski DCHoover DJLawton MPTreadway JLHarwood HJ Three-dimensional quantitative structure-activity relationship analysis of human CYP51 inhibitors. Drug Metab Dispos 35:493-500 (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
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  Blast E-value cutoff:
BDBM50370232
n/a
NameBDBM50370232
Synonyms:BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampicin
TypeSmall organic molecule
Emp. Form.C43H58N4O12
Mol. Mass.822.9402
SMILESCO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35|
Structure
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