4X2I
Discovery of benzotriazolo diazepines as orally-active inhibitors of BET bromodomains: Crystal structure of BRD4 with CPI-13
Summary for 4X2I
Entry DOI | 10.2210/pdb4x2i/pdb |
Descriptor | Bromodomain-containing protein 4, FORMIC ACID, (4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, ... (4 entities in total) |
Functional Keywords | bet, cpi-13, signaling protein |
Biological source | Homo sapiens (Human) |
Cellular location | Nucleus: O60885 |
Total number of polymer chains | 1 |
Total formula weight | 15238.94 |
Authors | Bellon, S.F.,Jayaram, H.,Poy, F. (deposition date: 2014-11-26, release date: 2015-11-11, Last modification date: 2024-02-28) |
Primary citation | Taylor, A.M.,Vaswani, R.G.,Gehling, V.S.,Hewitt, M.C.,Leblanc, Y.,Audia, J.E.,Bellon, S.,Cummings, R.T.,Cote, A.,Harmange, J.C.,Jayaram, H.,Joshi, S.,Lora, J.M.,Mertz, J.A.,Neiss, A.,Pardo, E.,Nasveschuk, C.G.,Poy, F.,Sandy, P.,Setser, J.W.,Sims, R.J.,Tang, Y.,Albrecht, B.K. Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains. Acs Med.Chem.Lett., 7:145-150, 2016 Cited by PubMed: 26985289DOI: 10.1021/ml500411h PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.2 Å) |
Structure validation
Download full validation report