Structure of PDB 7dxb Chain D Binding Site BS01 |
>7dxb Chain D (length=738) Species: 9606 (Homo sapiens)
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GPAFMFNTSLTAEEERFLDAAEYGNIPVVRKMLEESKTLNVNCVDYMGQN ALQLAVGNEHLEVTELLLKKENLARIGDALLLAISKGYVRIVEAILNHPG FAASKRLTLSPCEQELQDDDFYAYDEDGTRFSPDITPIILAAHCQKYEVV HMLLMKGARIERPHDYFCKCGDCMEKQRHDSFSHSRSRINAYKGLASPAY LSLSSEDPVLTALELSNELAKLANIEKEFKNDYRKLSMQCKDFVVGVLDL CRDSEEVEAILNGDASLSRVKLAIKYEVKKFVAHPNCQQQLLTIWYENLS GLREQTIAIKCLVVLVVALGLPFLAIGYWIAPCSRLGKILRSPFMKFVAH AASFIIFLGLLVFNASDRFEGITTLPNITVTDYPKQIFRVKTTQFTWTEM LIMVWVLGMMWSECKELWLEGPREYILQLWNVLDFGMLSIFIAAFTARFL AFLQATKAQQYVDSYVQESDLSEVTLPPEIQYFTYARDKWLPSDPQIISE GLYAIAVVLSFSRIAYILPANESFGPLQISLGRTVKDIFKFMVLFIMVFF AFMIGMFILYSYYLGAKVNAAFTTVEESFKTLFWSIFGLSEVTSVVLKYD HKFIENIGYVLYGIYNVTMVVVLLNMLIAMINSSYQEIEDDSDVEWKFAR SKLWLSYFDDGKTLPPPFSLVPQPTRYQQIMKRLIKRYVLKAQVDKENDE VNEGELKEIKQDISSLRYELLEDKSQATEELAILIHKL |
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Ligand ID | 98R |
InChI | InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,37,40H,3-14,19-36H2,1-2H3/b17-15?,18-16+/t37-/m0/s1 |
InChIKey | UGRFXJLWUONJDY-NVXOQYPQSA-N |
SMILES | Software | SMILES |
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CACTVS 3.385 OpenEye OEToolkits 2.0.7 | CCCCCCCC=CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC/C=C/CCCCCCC | CACTVS 3.385 | CCCCCCCC=CCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCC=CCCCCCCC | OpenEye OEToolkits 2.0.7 | CCCCCCCC=CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC=CCCCCCCC |
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Formula | C39 H72 O5 |
Name | [(2S)-2-[(E)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 7dxb Chain A Residue 909
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Enzyme Commision number |
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