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Target
Cytochrome P450 1A2
Ligand
BDBM295665
Substrate
n/a
Meas. Tech.
ChEMBL_2240006 (CHEMBL5153902)
IC50
>10000±n/a nM
Citation
 Hanan, EJ; Braun, MG; Heald, RA; MacLeod, C; Chan, C; Clausen, S; Edgar, KA; Eigenbrot, C; Elliott, R; Endres, N; Friedman, LS; Gogol, E; Gu, XH; Thibodeau, RH; Jackson, PS; Kiefer, JR; Knight, JD; Nannini, M; Narukulla, R; Pace, A; Pang, J; Purkey, HE; Salphati, L; Sampath, D; Schmidt, S; Sideris, S; Song, K; Sujatha-Bhaskar, S; Ultsch, M; Wallweber, H; Xin, J; Yeap, S; Young, A; Zhong, Y; Staben, ST Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K?. J Med Chem 65:16589-16621 (2022) [PubMed] 
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:
BDBM295665
Synonyms:
(S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin-3-yl)-5,6- dihydrobenzo[f]imidazo[1,2- d][1,4]oxazepin-9- yl)amino)propanamide | US10112932, Compound 101 | US10851091, Compound 101
Type:
Small organic molecule
Emp. Form.:
C18H19F2N5O4
Mol. Mass.:
407.3714
SMILES:
C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r|
Structure:
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