7fx5
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| - | ==Crystal Structure of human FABP4 in complex with 5-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]-3,6-dihydro-2H-pyran-4-carboxylic acid== | + | ==Crystal Structure of human FABP4 in complex with 5-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]-3,6-dihydro-2H-pyran-4-carboxylic acid, i.e. SMILES C1C(CC2=C(C1)C(=C(S2)NC(=O)C1=C(CCOC1)C(=O)O)C1=NC(=NO1)C1CC1)(F)F with IC50=0.182863 microM== |
<StructureSection load='7fx5' size='340' side='right'caption='[[7fx5]], [[Resolution|resolution]] 1.12Å' scene=''> | <StructureSection load='7fx5' size='340' side='right'caption='[[7fx5]], [[Resolution|resolution]] 1.12Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[7fx5]] 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=7FX5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7FX5 FirstGlance]. <br> | <table><tr><td colspan='2'>[[7fx5]] 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=7FX5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7FX5 FirstGlance]. <br> | ||
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=Q4X:5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic+acid'>Q4X</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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]] 1.12Å</td></tr> |
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=Q4X:5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic+acid'>Q4X</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=7fx5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7fx5 OCA], [https://pdbe.org/7fx5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7fx5 RCSB], [https://www.ebi.ac.uk/pdbsum/7fx5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7fx5 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=7fx5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7fx5 OCA], [https://pdbe.org/7fx5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7fx5 RCSB], [https://www.ebi.ac.uk/pdbsum/7fx5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7fx5 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
Current revision
Crystal Structure of human FABP4 in complex with 5-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]-3,6-dihydro-2H-pyran-4-carboxylic acid, i.e. SMILES C1C(CC2=C(C1)C(=C(S2)NC(=O)C1=C(CCOC1)C(=O)O)C1=NC(=NO1)C1CC1)(F)F with IC50=0.182863 microM
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Categories: Homo sapiens | Large Structures | Benz J | Ehler A | Obst U | Richter H | Rudolph MG
