Structure of PDB 7wdb Chain B Binding Site BS05 |
| >7wdb Chain B (length=665) Species: 9606 (Homo sapiens)
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RIPLQIVRAETELSAEEKAFLNAVEKGDYATVKQALQEAEIYYNVNINCM
DPLGRSALLIAIENENLEIMELLLNHSVYVGDALLYAIRKEVVGAVELLL
SYQFSEFTPDITPIMLAAHTNNYEIIKLLVQKRVTIPRPHQIRCNCVECV
SSSEVDSLRHSRSRLNIYKALASPSLIALSSEDPILTAFRLGWELKELSK
VENEFKAEYEELSQQCKLFAKDLLDQARSSRELEIILNHRDDLAKLKVAI
KYHQKEFVAQPNCQQLLATLWYDGFPGWRRKHWVVKLLTCMTIGFLFPML
SIAYLISPRSNLGLFIKKPFIKFICHTASYLTFLFMLLLASQHVQGPPPT
VVEWMILPWVLGFIWGEIKEMWDGGFTEYIHDWWNLMDFAMNSLYLATIS
LKIVAYVKYNGSRPREEWEMWHPTLIAEALFAISNILSSLRLISLFTANS
HLGPLQISLGRMLLDILKFLFIYCLVLLAFANGLNQLYFYYETRAIDEPN
NCKGIRCEKQNNAFSTLFETLQSLFWSVFGLLNLYVTNVKARHEFTEFVG
ATMFGTYNVISLVVLLNMLIAMMNNSYQLIADHADIEWKFARTKLWMSYF
DEGGTLPPPFNIISLIQNQHYQEVIRNLVKRYVAAMIRNSKTTEENFKEL
KQDISSFRYEVLDLL |
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| Ligand ID | 7OC |
| InChI | InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(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+ |
| InChIKey | YVMVBCNUZPOELF-YTEMWHBBSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CCCCCCCC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CCCCCCCC)O | | CACTVS 3.385 | CCCCCCC\C=C\CCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCC/C=C/CCCCCCC | | OpenEye OEToolkits 2.0.7 | CCCCCCC/C=C/CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC/C=C/CCCCCCC | | CACTVS 3.385 | CCCCCCCC=CCCCCCCCCC(=O)OC[CH](O)COC(=O)CCCCCCCCC=CCCCCCCC |
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| Formula | C39 H72 O5 |
| Name | [3-[(~{E})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{E})-octadec-10-enoate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7wdb Chain B Residue 907
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