Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 1A1
LigandBDBM50014323
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1474525
IC50 60±n/a nM
Citation Cui JMeng QZhang XCui QZhou WLi S Design and Synthesis of Newa-Naphthoflavones as Cytochrome P450 (CYP) 1B1 Inhibitors To Overcome Docetaxel-Resistance Associated with CYP1B1 Overexpression. J Med Chem 58:3534-47 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 1A1
Name:Cytochrome P450 1A
Synonyms:CYPIA1 | Cytochrome P450 1A | Cytochrome P450 1A1 (CYP1A1) | P450 form 6 | P450-C | P450-P1
Type:Protein
Mol. Mass.:58177.23
Organism:Homo sapiens (Human)
Description:P04798
Residue:512
Sequence:
MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPH
LALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQS
MSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAG
PGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPIL
RYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANV
QLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLS
DRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKL
WVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEF
SVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50014323
n/a
NameBDBM50014323
Synonyms:2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo[h]chromen-4-one | 7,8-Benzoflavone | CHEMBL283196 | alpha-naphthoflavone
TypeSmall organic molecule
Emp. Form.C19H12O2
Mol. Mass.272.2974
SMILESO=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: