7g0a

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Current revision (06:22, 21 November 2024) (edit) (undo)
 
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==Crystal Structure of human FABP4 in complex with 5-(6-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)-3H-1,3,4-oxadiazol-2-one==
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==Crystal Structure of human FABP4 in complex with 5-(6-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)-3H-1,3,4-oxadiazol-2-one, i.e. SMILES c1(ccc2c(c1)c(c(c(n2)N1CCCCC1)C1=NNC(=O)O1)c1ccccc1)Cl with IC50=0.070 microM==
<StructureSection load='7g0a' size='340' side='right'caption='[[7g0a]], [[Resolution|resolution]] 1.12&Aring;' scene=''>
<StructureSection load='7g0a' size='340' side='right'caption='[[7g0a]], [[Resolution|resolution]] 1.12&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[7g0a]] 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=7G0A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7G0A FirstGlance]. <br>
<table><tr><td colspan='2'>[[7g0a]] 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=7G0A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7G0A 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]] 1.12&#8491;</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]] 1.12&#8491;</td></tr>
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<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=WJU:(5M)-5-[6-chloro-4-phenyl-2-(piperidin-1-yl)quinolin-3-yl]-1,3,4-oxadiazol-2(3H)-one'>WJU</scene></td></tr>
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<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=WJU:5-(6-chloranyl-4-phenyl-2-piperidin-1-yl-quinolin-3-yl)-3~{H}-1,3,4-oxadiazol-2-one'>WJU</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=7g0a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7g0a OCA], [https://pdbe.org/7g0a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7g0a RCSB], [https://www.ebi.ac.uk/pdbsum/7g0a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7g0a 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=7g0a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7g0a OCA], [https://pdbe.org/7g0a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7g0a RCSB], [https://www.ebi.ac.uk/pdbsum/7g0a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7g0a ProSAT]</span></td></tr>
</table>
</table>

Current revision

Crystal Structure of human FABP4 in complex with 5-(6-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)-3H-1,3,4-oxadiazol-2-one, i.e. SMILES c1(ccc2c(c1)c(c(c(n2)N1CCCCC1)C1=NNC(=O)O1)c1ccccc1)Cl with IC50=0.070 microM

PDB ID 7g0a

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