Structure of PDB 7l2u Chain A Binding Site BS02 |
| >7l2u Chain A (length=533) Species: 10116 (Rattus norvegicus)
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NASYTDSYYKGQTALHIAIERRNMTLVTLLVENGADVQAAANGDFFKPGF
YFGELPLSLAACTNQLAIVKFLLQNSWQPADISARDSVGNTVLHALVEVA
DNTVDNTKFVTSMYNEILILGAKLHPTLKLEEITNRKGLTPLALAASSGK
IGVLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKNSV
LEVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYCLYM
IIFTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSGGVYFFFRGIQY
FLQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVASMVFSL
AMGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFSTAV
VTLIEDGKYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLAYVI
LTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKCMRK
AFRSGKLLQVGFTPDGKDDYRWCFRVDEVNWTT |
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| Ligand ID | XKP |
| InChI | InChI=1S/C23H46NO8P/c1-3-5-7-9-10-12-14-16-23(26)32-21(20-31-33(27,28)30-18-17-24)19-29-22(25)15-13-11-8-6-4-2/h21H,3-20,24H2,1-2H3,(H,27,28)/t21-/m1/s1 |
| InChIKey | VYUSSAVVRCGYLY-OAQYLSRUSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | C(CCCCCCCCC)(=O)OC(COC(=O)CCCCCCC)COP(O)(=O)OCCN | | OpenEye OEToolkits 2.0.7 | CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)(O)OCCN | | CACTVS 3.385 | CCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC)CO[P](O)(=O)OCCN | | OpenEye OEToolkits 2.0.7 | CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN | | CACTVS 3.385 | CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)CO[P](O)(=O)OCCN |
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| Formula | C23 H46 N O8 P |
| Name | (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7l2u Chain A Residue 802
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