Target
Cytochrome P450 1A1
Ligand
BDBM50060957
Substrate
n/a
Meas. Tech.
ChEMBL_1684873 (CHEMBL4035352)
Ki
88000±n/a nM
Citation
 Dutour, RPoirier, D Inhibitors of cytochrome P450 (CYP) 1B1. Eur J Med Chem 135:296-306 (2017) [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:
BDBM50060957
Synonyms:
2-Hydroxyestradol 2-methyl ether | 2-methoxy-17beta-estradiol | CHEMBL299613 | Panzem
Type:
Small organic molecule
Emp. Form.:
C19H26O3
Mol. Mass.:
302.4079
SMILES:
COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O |r|
Structure:
Search PDB for entries with ligand similarity: