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TargetCytochrome P450 1A
LigandBDBM50234040
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1652001
IC50>3000±n/a nM
Citation Markwalder, JASeitz, SPBlat, YElkin, LHunt, JTPabalan, JGJure-Kunkel, MNVite, GDCovello, K Identification and optimization of a novel series of indoleamine 2,3-dioxygenase inhibitors. Bioorg Med Chem Lett27:582-585 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 1A
Name:Cytochrome P450 1A
Synonyms:1.14.14.1 | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A2 | Cytochrome P450 4 | Cytochrome P450-P3
Type:PROTEIN
Mol. Mass.:58423.38
Organism:Homo sapiens (Human)
Description:ChEMBL_109705
Residue:516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50234040
NameBDBM50234040
Synonyms:CHEMBL4060089 | US9765018, Example 114
TypeSmall organic molecule
Emp. Form.C31H27ClN2O5
Mol. Mass.543.009
SMILESCOc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2Cl)c1
Structure
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n/a