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Target
Cytochrome P450 1A1
Ligand
BDBM50609944
Substrate
n/a
Meas. Tech.
ChEMBL_2280044
IC50
896±n/a nM
Citation
 Mao, J; Wang, D; Xu, P; Wang, Y; Zhang, H; Wang, S; Xu, F; Wang, J; Zhang, F Structure-Based Drug Design and Synthesis of Novel  J Med Chem 65:16451-16480 (2022) [PubMed]
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:
BDBM50609944
Synonyms:
CHEMBL5281938
Type:
Small organic molecule
Emp. Form.:
C18H11Cl2N3S2
Mol. Mass.:
404.336
SMILES:
Clc1cc(Cl)cc(Nc2nc(cs2)-c2nc(cs2)-c2ccccc2)c1
Structure:
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