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Target
Cytochrome P450 1A1
Ligand
BDBM50108052
Substrate
n/a
Meas. Tech.
ChEMBL_1830134 (CHEMBL4330008)
IC50
300±n/a nM
Citation
 Lee, JY; Cho, H; Thangapandian, S; Lim, C; Chun, YJ; Lee, Y; Choi, S; Kim, S Adaptable Small Ligand of CYP1 Enzymes for Use in Understanding the Structural Features Determining Isoform Selectivity. ACS Med Chem Lett 9:1247-1252 (2018) [PubMed]  Article 
Target
Name:
Cytochrome P450 1A1
Synonyms:
CP1A1_HUMAN | CYP1A1 | CYPIA1 | Cytochrome P450 1A | Cytochrome P450 1A1 | 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:
MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPHLALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQSMSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAGPGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPILRYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANVQLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLSDRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKLWVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEFSVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS
  
Inhibitor
Name:
BDBM50108052
Synonyms:
1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxybenzene | CHEMBL46909 | trans-2,4,3',5'-tetramethoxystilbene
Type:
Small organic molecule
Emp. Form.:
C18H20O4
Mol. Mass.:
300.349
SMILES:
COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1
Structure:
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