Reaction Details |
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Target | Lanosterol 14-alpha demethylase |
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Ligand | BDBM50370232 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_470779 (CHEMBL934981) |
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IC50 | 30000±n/a nM |
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Citation | Ekins, S; Mankowski, DC; Hoover, DJ; Lawton, MP; Treadway, JL; Harwood, HJ Three-dimensional quantitative structure-activity relationship analysis of human CYP51 inhibitors. Drug Metab Dispos35:493-500 (2007) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Lanosterol 14-alpha demethylase |
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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: | 503 |
Sequence: | MLLLGLLQAGGSVLGQAMEKVTGGNLLSMLLIACAFTLSLVYLIRLAAGHLVQLPAGVKS
PPYIFSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAAALLFNS
KNEDLNAEDVYSRLTTPVFGKGVAYDVPNPVFLEQKKMLKSGLNIAHFKQHVSIIEKETK
EYFESWGESGEKNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWL
LPGWLPLPSFRRRDRAHREIKDIFYKAIQKRRQSQEKIDDILQTLLDATYKDGRPLTDDE
VAGMLIGLLLAGQHTSSTTSAWMGFFLARDKTLQKKCYLEQKTVCGENLPPLTYDQLKDL
NLLDRCIKETLRLRPPIMIMMRMARTPQTVAGYTIPPGHQVCVSPTVNQRLKDSWVERLD
FNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDLIDGYFP
TVNYTTMIHTPENPVIRYKRRSK
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BDBM50370232 |
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n/a |
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Name | BDBM50370232 |
Synonyms: | BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampicin |
Type | Small organic molecule |
Emp. Form. | C43H58N4O12 |
Mol. Mass. | 822.9402 |
SMILES | CO[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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