Reaction Details  Report a problem with these data
Target
Cytochrome P450 1A1
Ligand
BDBM50548266
Substrate
n/a
Meas. Tech.
ChEMBL_2021441 (CHEMBL4675254)
IC50
280±n/a nM
Citation
 Sharma, R; Williams, IS; Gatchie, L; Sonawane, VR; Chaudhuri, B; Bharate, SB Furanoflavones pongapin and lanceolatin B blocks the cell cycle and induce senescence in CYP1A1-overexpressing breast cancer cells. Bioorg Med Chem 26:6076-6086 (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:
BDBM50548266
Synonyms:
CHEMBL4740121
Type:
Small organic molecule
Emp. Form.:
C25H17N3O2
Mol. Mass.:
391.4214
SMILES:
COc1c(ccc2occc12)-c1cc(-c2ccccc2)n(n1)-c1ccc(cc1)C#N
Structure:
Search PDB for entries with ligand similarity: