5HZ8

FABP4_3 in complex with 6,8-Dichloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid

Summary for 5HZ8

• Entry DOI: 10.2210/pdb5hz8/pdb
• Descriptor: Fatty acid-binding protein, adipocyte, 6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid, DIMETHYL SULFOXIDE, ... (4 entities in total)
• Functional Keywords: lipid binding protein, fatty acid binding protein, cytoplasm, lipid-binding, transport protein, protein binding, _refmac
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: P15090
• Total number of polymer chains: 1
• Total formula weight: 15774.06

Authors

Ehler, A.,Rudolph, M.G. (deposition date: 2016-02-02, release date: 2016-12-14, Last modification date: 2024-05-08)

Primary citation

Kuhne, H.,Obst-Sander, U.,Kuhn, B.,Conte, A.,Ceccarelli, S.M.,Neidhart, W.,Rudolph, M.G.,Ottaviani, G.,Gasser, R.,So, S.S.,Li, S.,Zhang, X.,Gao, L.,Myers, M.
Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 26:5092-5097, 2016

PubMed Abstract: Dual inhibition of fatty acid binding proteins 4 and 5 (FABP4 and FABP5) is expected to provide beneficial effects on a number of metabolic parameters such as insulin sensitivity and blood glucose levels and should protect against atherosclerosis. Starting from a FABP4 selective focused screening hit, biostructure information was used to modulate the selectivity profile in the desired way and to design potent dual FABP4/5 inhibitors with good selectivity against FABP3. With very good pharmacokinetic properties and no major safety alerts, compound 12 was identified as a suitable tool compound for further in vivo investigations.

PubMed: 27658368
DOI: 10.1016/j.bmcl.2016.08.071

Experimental method

X-RAY DIFFRACTION (1.12 Å)