7VHZ
Crystal structure of EP300 HAT domain in complex with compound 7
Summary for 7VHZ
| Entry DOI | 10.2210/pdb7vhz/pdb |
| Descriptor | Histone acetyltransferase p300, ZINC ION, (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, ... (4 entities in total) |
| Functional Keywords | epigenetics, sbdd, histone acetyltransferase, transferase |
| Biological source | Homo sapiens (Human) More |
| Total number of polymer chains | 2 |
| Total formula weight | 106068.94 |
| Authors | Takahashi, M.,Hanzawa, H. (deposition date: 2021-09-24, release date: 2022-04-27, Last modification date: 2023-11-29) |
| Primary citation | Kanada, R.,Kagoshima, Y.,Asano, M.,Suzuki, T.,Murata, T.,Haruta, M.,Takahashi, M.,Ubukata, O.,Hashimoto, K.,Obata, K.,Kihara, K.,Kuroha, M.,Banjo, T.,Togashi, N.,Sato, K.,Yamamoto, Y.,Suzuki, K.,Isoyama, T.,Tominaga, Y.,Higuchi, S.,Naito, H. Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66:128726-128726, 2022 Cited by PubMed Abstract: EP300 and its paralog CBP play an important role in post-translational modification as histone acetyltransferases (HATs). EP300/CBP inhibition has been gaining attention as an anticancer treatment target in recent years. Herein, we describe the identification of a novel, highly selective EP300/CBP inhibitor, compound 11 (DS17701585), by scaffold hopping and structure-based optimization of a high-throughput screening hit 1. Compound 11 (DS17701585) shows dose-dependent inhibition of SRY-box transcription factor 2 (SOX2) mRNA expression in a human lung squamous cell carcinoma cell line LK2-xenografted mouse model. PubMed: 35413416DOI: 10.1016/j.bmcl.2022.128726 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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