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TargetCytochrome P450 1A
LigandBDBM50237130
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1659862
IC50 515±n/a nM
Citation Horley, NJBeresford, KJChawla, TMcCann, GJRuparelia, KCGatchie, LSonawane, VRWilliams, ISTan, HLJoshi, PBharate, SSKumar, VBharate, SBChaudhuri, B Discovery and characterization of novel CYP1B1 inhibitors based on heterocyclic chalcones: Overcoming cisplatin resistance in CYP1B1-overexpressing lines. Eur J Med Chem129:159-174 (2017) [PubMed]
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:
BDBM50237130
NameBDBM50237130
Synonyms:CHEMBL4079191
TypeSmall organic molecule
Emp. Form.C17H17NO4
Mol. Mass.299.3212
SMILESCOc1cc(\C=C\C(=O)c2cccnc2)cc(OC)c1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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