View source for 5fdp


==Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.==
<StructureSection load='5fdp' size='340' side='right' caption='[[5fdp]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5fdp]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FDP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FDP FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5WR:(4~{S})-4-METHYL-~{N}-[3-[(4-METHYLPIPERAZIN-1-YL)METHYL]-5-(TRIFLUOROMETHYL)PHENYL]-2-PYRIMIDIN-5-YL-3,4-DIHYDRO-1~{H}-ISOQUINOLINE-7-CARBOXAMIDE'>5WR</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">DDR1, CAK, EDDR1, NEP, NTRK4, PTK3A, RTK6, TRKE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein-tyrosine_kinase Receptor protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.1 2.7.10.1] </span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5fdp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fdp OCA], [http://pdbe.org/5fdp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5fdp RCSB], [http://www.ebi.ac.uk/pdbsum/5fdp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5fdp ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The structure-based design of 1, 2, 3, 4-tetrahydroisoquinoline derivatives as selective DDR1 inhibitors is reported. One of the representative compounds, 6j, binds to DDR1 with a Kd value of 4.7 nM and suppresses its kinase activity with an IC50 value of 9.4 nM, but it is significantly less potent for a panel of 400 nonmutated kinases. 6j also demonstrated reasonable pharmacokinetic properties and a promising oral therapeutic effect in a bleomycin-induced mouse pulmonary fibrosis model.

Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.,Wang Z, Bian H, Bartual SG, Du W, Luo J, Zhao H, Zhang S, Mo C, Zhou Y, Xu Y, Tu Z, Ren X, Lu X, Brekken RA, Yao L, Bullock AN, Su J, Ding K J Med Chem. 2016 Jun 3. PMID:27219676<ref>PMID:27219676</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5fdp" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Human]]
[[Category: Receptor protein-tyrosine kinase]]
[[Category: Arrowsmith, C H]]
[[Category: Bartual, S G]]
[[Category: Borkowska, O]]
[[Category: Bountra, C]]
[[Category: Bullock, A]]
[[Category: Burgess-Brown, N]]
[[Category: Chaikuad, A]]
[[Category: Delft, F von]]
[[Category: Ding, K]]
[[Category: Edwards, A M]]
[[Category: Kopec, J]]
[[Category: Kupinska, K]]
[[Category: Mahajan, P]]
[[Category: Mukhopadhyay, S]]
[[Category: Newman, J]]
[[Category: Pinkas, D M]]
[[Category: Structural genomic]]
[[Category: Sorell, F]]
[[Category: Strain-Damerell, C]]
[[Category: Tallant, C]]
[[Category: Talon, R]]
[[Category: Wang, Z]]
[[Category: Williams, E]]
[[Category: Ddr1 kinase]]
[[Category: Inhibitor]]
[[Category: Psi-biology]]
[[Category: Sgc]]
[[Category: Transferase]]