5KYA

Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core

Summary for 5KYA

• Entry DOI: 10.2210/pdb5kya/pdb
• Related: 5I4V
• Descriptor: Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol, ... (4 entities in total)
• Functional Keywords: nuclear receptor, liver x receptor, lxrbeta-lbd/rxrbeta-lbd heterodimer, chemical modulators, dna binding protein
• Biological source: Homo sapiens (Human); More
• Cellular location: Nucleus : P55055 P28702
• Total number of polymer chains: 4
• Total formula weight: 122381.92

Authors

Chen, G.,McKeever, B.M. (deposition date: 2016-07-21, release date: 2016-09-21, Last modification date: 2024-03-06)

• Primary citation: Tice, C.M.,Noto, P.B.,Fan, K.Y.,Zhao, W.,Lotesta, S.D.,Dong, C.,Marcus, A.P.,Zheng, Y.J.,Chen, G.,Wu, Z.,Van Orden, R.,Zhou, J.,Bukhtiyarov, Y.,Zhao, Y.,Lipinski, K.,Howard, L.,Guo, J.,Kandpal, G.,Meng, S.,Hardy, A.,Krosky, P.,Gregg, R.E.,Leftheris, K.,McKeever, B.M.,Singh, S.B.,Lala, D.,McGeehan, G.M.,Zhuang, L.,Claremon, D.A.; Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.; Bioorg.Med.Chem.Lett., 26:5044-5050, 2016; PubMed: 27599745; DOI: 10.1016/j.bmcl.2016.08.089

Experimental method

X-RAY DIFFRACTION (2.598 Å)