5ZA1

Ligand complex of RORgt LBD

Summary for 5ZA1

• Entry DOI: 10.2210/pdb5za1/pdb
• Descriptor: Nuclear receptor ROR-gamma, 2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide, 1,2-ETHANEDIOL, ... (5 entities in total)
• Functional Keywords: transcription, rorgt ligand, rorgt inhibitor, structure-based design
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 56054.90

Authors

Yamamoto, S.,Yamaguchi, H. (deposition date: 2018-02-06, release date: 2018-10-31, Last modification date: 2023-11-22)

• Primary citation: Sasaki, Y.,Odan, M.,Yamamoto, S.,Kida, S.,Ueyama, A.,Shimizu, M.,Haruna, T.,Watanabe, A.,Okuno, T.; Discovery of a potent orally bioavailable retinoic acid receptor-related orphan receptor-gamma-t (ROR gamma t) inhibitor, S18-000003.; Bioorg. Med. Chem. Lett., 28:3549-3553, 2018; PubMed: 30301676; DOI: 10.1016/j.bmcl.2018.09.032

Experimental method

X-RAY DIFFRACTION (2.52 Å)