2JID

Human Dipeptidyl peptidase IV in complex with 1-(3,4-Dimethoxy-phenyl) -3-m-tolyl-piperidine-4-ylamine

Summary for 2JID

• Entry DOI: 10.2210/pdb2jid/pdb
• Related: 1J2E 1N1M 1NU6 1NU8 1PFQ 1R9M 1R9N 1RWQ 1TK3 1TKR 1U8E 1W1I 1WCY 1X70 2AJL 2BGN 2BGR 2BUB 2G5P 2G5T 2G63
• Descriptor: DIPEPTIDYL PEPTIDASE 4, 2-acetamido-2-deoxy-beta-D-glucopyranose, (3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE, ... (4 entities in total)
• Functional Keywords: hydrolase, diabetes type ii, dipeptidyl peptidase, protease, membrane, b-propeller, structure based design, glycoprotein, signal-anchor, transmembrane, hydrolase fold, aminopeptidase, serine protease
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 2
• Total formula weight: 172841.11

Authors

Hennig, M.,Stihle, M.,Luebbers, T.,Thoma, R. (deposition date: 2007-02-28, release date: 2008-05-27, Last modification date: 2024-10-23)

Primary citation

Lubbers, T.,Bohringer, M.,Gobbi, L.,Hennig, M.,Hunziker, D.,Kuhn, B.,Loffler, B.,Mattei, P.,Narquizian, R.,Peters, J.,Ruff, Y.,Wessel, H.P.,Wyss, P.
1,3-Disubstituted 4-Aminopiperidines as Useful Tools in the Optimization of the 2-Aminobenzo[A]Quinolizine Dipeptidyl Peptidase Iv Inhibitors.
Bioorg.Med.Chem.Lett., 17:2966-, 2007

PubMed Abstract: In a search for novel DPP-IV inhibitors, 2-aminobenzo[a]quinolizines were identified as submicromolar HTS hits. Due to the difficult synthetic access to this compound class, 1,3-disubstituted 4-aminopiperidines were used as model compounds for optimization. The developed synthetic methodology and the SAR could be transferred to the 2-aminobenzo[a]quinolizine series, leading to highly active DPP-IV inhibitors.

PubMed: 17418568
DOI: 10.1016/J.BMCL.2007.03.072

Experimental method

X-RAY DIFFRACTION (2.8 Å)