| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
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| Ligand | BDBM295665 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2240006 (CHEMBL5153902) |
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| IC50 | >10000±n/a nM |
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| 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 Chem65:16589-16621 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 1A2 |
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| Name: | Cytochrome P450 1A2 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 58423.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05177 |
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| Residue: | 516 |
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| Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
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| BDBM295665 |
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| n/a |
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| Name | BDBM295665 |
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| 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 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H19F2N5O4 |
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| Mol. Mass. | 407.3714 |
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| SMILES | C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r| |
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| Structure | 
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