Reaction Details Report a problem with these data
Target
Cytochrome P450 1A1
Ligand
BDBM50330387
Substrate
n/a
Meas. Tech.
ChEMBL_684297 (CHEMBL1286935)
Kd
13500±n/a nM
Citation
 Rosales-Hernández, MC; Mendieta-Wejebe, JE; Trujillo-Ferrara, JG; Correa-Basurto, J Homology modeling and molecular dynamics of CYP1A1 and CYP2B1 to explore the metabolism of aryl derivatives by docking and experimental assays. Eur J Med Chem 45:4845-55 (2010) [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:
BDBM50330387
Synonyms:
1H-pyrrolidine-1-(4'-hydroxyphenyl)-2,5-dione | CHEMBL1275863
Type:
Small organic molecule
Emp. Form.:
C10H9NO3
Mol. Mass.:
191.1834
SMILES:
Oc1ccc(O)n1-c1ccc(O)cc1
Structure:
Search PDB for entries with ligand similarity: