Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM250082
Substrate
n/a
Meas. Tech.
ChEMBL_1912373 (CHEMBL4414956)
IC50
>30000±n/a nM
Citation
 Guo, Y; Liu, Y; Hu, N; Yu, D; Zhou, C; Shi, G; Zhang, B; Wei, M; Liu, J; Luo, L; Tang, Z; Song, H; Guo, Y; Liu, X; Su, D; Zhang, S; Song, X; Zhou, X; Hong, Y; Chen, S; Cheng, Z; Young, S; Wei, Q; Wang, H; Wang, Q; Lv, L; Wang, F; Xu, H; Sun, H; Xing, H; Li, N; Zhang, W; Wang, Z; Liu, G; Sun, Z; Zhou, D; Li, W; Liu, L; Wang, L; Wang, Z Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem 62:7923-7940 (2019) [PubMed]  Article 
Target
Name:
Cytochrome P450 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM250082
Synonyms:
US9447106, 27b (peak 2) | US9556188, Compound 27a
Type:
Small organic molecule
Emp. Form.:
C27H29N5O3
Mol. Mass.:
471.5509
SMILES:
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
Structure:
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