Structure of PDB 7x6c Chain D Binding Site BS01 |
>7x6c Chain D (length=675) Species: 9606 (Homo sapiens)
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RIPLQIVRAETELSAEEKAFLNAVEKGDYATVKQALQEAEIYYNVNINCM DPLGRSALLIAIENENLEIMELLLNHSVYVGDALLYAIRKEVVGAVELLL SYQFSEFTPDITPIMLAAHTNNYEIIKLLVQKRVTIPRPHQIRCNCVECV SSSEVDSLRHSRSRLNIYKALASPSLIALSSEDPILTAFRLGWELKELSK VENEFKAEYEELSQQCKLFAKDLLDQARSSRELEIILNHRDDLAKLKVAI KYHQKEFVAQPNCQQLLATLWYDGFPGWRRKHWVVKLLTCMTIGFLFPML SIAYLISPRSNLGLFIKKPFIKFICHTASYLTFLFMLLLASQHIVRTDLH VQGPPPTVVEWMILPWVLGFIWGEIKEMWDGGFTEYIHDWWNLMDFAMNS LYLATISLKIVAYVKYNGSRPREEWEMWHPTLIAEALFAISNILSSLRLI SLFTANSHLGPLQISLGRMLLDILKFLFIYCLVLLAFANGLNQLYFYYET RAIDEPNNCKGIRCEKQNNAFSTLFETLQSLFWSVFGLLNLYVTNVKARH EFTEFVGATMFGTYNVISLVVLLNMLIAMMNNSYQLIADHADIEWKFART KLWMSYFDEGGTLPPPFNIIPDSLIQNQHYQEVIRNLVKRYVAAMIRNSK THEGLTEENFKELKQDISSFRYEVL |
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Ligand ID | YZY |
InChI | InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1 |
InChIKey | DOZKMFVMCATMEH-OZKTZCCCSA-N |
SMILES | Software | SMILES |
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CACTVS 3.370 | CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC | OpenEye OEToolkits 1.7.6 | CCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCCCCCCCC | OpenEye OEToolkits 1.7.6 | CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC | ACDLabs 12.01 | O=C(OC(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCCCCCCCCCC | CACTVS 3.370 | CCCCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCC=CCCCCCCCC |
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Formula | C37 H70 O5 |
Name | (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate |
ChEMBL | |
DrugBank | |
ZINC | ZINC000040164793
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PDB chain | 7x6c Chain A Residue 806
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Enzyme Commision number |
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