5fdp: Difference between revisions
Jump to navigation
Jump to search
New page: '''Unreleased structure''' The entry 5fdp is ON HOLD until Paper Publication Authors: Bartual, S.G., Pinkas, D.M., Wang, Z., Ding, K., Mahajan, P., Kupinska, K., Mukhopadhyay, S., Strai... |
No edit summary |
||
| (4 intermediate revisions by the same user not shown) | |||
| Line 1: | Line 1: | ||
==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]] 2.25Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5fdp]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. 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 [https://proteopedia.org/fgij/fg.htm?mol=5FDP FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.25Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5fdp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fdp OCA], [https://pdbe.org/5fdp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5fdp RCSB], [https://www.ebi.ac.uk/pdbsum/5fdp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5fdp ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/DDR1_HUMAN DDR1_HUMAN] | |||
<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®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[ | </div> | ||
[[Category: | <div class="pdbe-citations 5fdp" style="background-color:#fffaf0;"></div> | ||
[[Category: | |||
[[Category: | ==See Also== | ||
[[Category: | *[[Epithelial discoidin domain-containing receptor|Epithelial discoidin domain-containing receptor]] | ||
[[Category: Borkowska | == References == | ||
[[Category: | <references/> | ||
[[Category: | __TOC__ | ||
[[Category: | </StructureSection> | ||
[[Category: | [[Category: Homo sapiens]] | ||
[[Category: | [[Category: Large Structures]] | ||
[[Category: | [[Category: Arrowsmith CH]] | ||
[[Category: | [[Category: Bartual SG]] | ||
[[Category: Kupinska | [[Category: Borkowska O]] | ||
[[Category: | [[Category: Bountra C]] | ||
[[Category: | [[Category: Bullock A]] | ||
[[Category: | [[Category: Burgess-Brown N]] | ||
[[Category: | [[Category: Chaikuad A]] | ||
[[Category: | [[Category: Ding K]] | ||
[[Category: | [[Category: Edwards AM]] | ||
[[Category: Talon | [[Category: Kopec J]] | ||
[[Category: | [[Category: Kupinska K]] | ||
[[Category: | [[Category: Mahajan P]] | ||
[[Category: | [[Category: Mukhopadhyay S]] | ||
[[Category: Newman J]] | |||
[[Category: Pinkas DM]] | |||
[[Category: Sorell F]] | |||
[[Category: Strain-Damerell C]] | |||
[[Category: Tallant C]] | |||
[[Category: Talon R]] | |||
[[Category: Wang Z]] | |||
[[Category: Williams E]] | |||
[[Category: Von Delft F]] | |||
Latest revision as of 09:47, 19 July 2023
Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
Structural highlights
FunctionPublication Abstract from PubMedThe 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
|
| ||||||||||||||||||