7fyt
From Proteopedia
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| - | ==Crystal Structure of human FABP4 in complex with 5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one== | + | ==Crystal Structure of human FABP4 in complex with 5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, i.e. SMILES c1(cccc(c1C)Cl)OCC1=CC(=O)N2N=C(c3ccccc3)N=C2N1 with IC50=0.061 microM== |
<StructureSection load='7fyt' size='340' side='right'caption='[[7fyt]], [[Resolution|resolution]] 1.24Å' scene=''> | <StructureSection load='7fyt' size='340' side='right'caption='[[7fyt]], [[Resolution|resolution]] 1.24Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[7fyt]] 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=7FYT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7FYT FirstGlance]. <br> | <table><tr><td colspan='2'>[[7fyt]] 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=7FYT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7FYT 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]] 1.24Å</td></tr> | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.24Å</td></tr> | ||
| - | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=W7Z: | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=W7Z:5-[(3-chloranyl-2-methyl-phenoxy)methyl]-2-phenyl-4~{H}-[1,2,4]triazolo[1,5-a]pyrimidin-7-one'>W7Z</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=7fyt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7fyt OCA], [https://pdbe.org/7fyt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7fyt RCSB], [https://www.ebi.ac.uk/pdbsum/7fyt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7fyt ProSAT]</span></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=7fyt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7fyt OCA], [https://pdbe.org/7fyt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7fyt RCSB], [https://www.ebi.ac.uk/pdbsum/7fyt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7fyt ProSAT]</span></td></tr> | ||
</table> | </table> | ||
Revision as of 06:20, 21 November 2024
Crystal Structure of human FABP4 in complex with 5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, i.e. SMILES c1(cccc(c1C)Cl)OCC1=CC(=O)N2N=C(c3ccccc3)N=C2N1 with IC50=0.061 microM
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