Structure of PDB 7l2x Chain C Binding Site BS02 |
| >7l2x Chain C (length=536) Species: 10116 (Rattus norvegicus)
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SYTDSYYKGQTALHIAIERRNMTLVTLLVENGADVQAAANGDFFKKTKGR
PGFYFGELPLSLAACTNQLAIVKFLLQNSWQPADISARDSVGNTVLHALV
EVADNTVDNTKFVTSMYNEILILGAKLHPTLKLEEITNRKGLTPLALAAS
SGKIGVLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEK
NSVLEVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYC
LYMIIFTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSGGVYFFFRG
IQYFLQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVASMV
FSLAMGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFS
TAVVTLIEDGKYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLA
YVILTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKC
MRKAFRSGKLLQVGFTPDGKDDYRWCFRVDEVNWTT |
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| Ligand ID | 6IY |
| InChI | InChI=1S/C28H56NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-28(31)37-26(25-36-38(32,33)35-23-22-29)24-34-27(30)20-18-8-6-4-2/h26H,3-25,29H2,1-2H3,(H,32,33)/t26-/m1/s1 |
| InChIKey | AALSRRWRFFTHRD-AREMUKBSSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC)COP(=O)(O)OCCN | | CACTVS 3.385 | CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCC)CO[P](O)(=O)OCCN | | ACDLabs 12.01 | NCCOP(OCC(COC(=O)CCCCCC)OC(CCCCCCCCCCCCCCC)=O)(=O)O | | CACTVS 3.385 | CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P](O)(=O)OCCN | | OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)OCCN |
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| Formula | C28 H56 N O8 P |
| Name | (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7l2x Chain B Residue 902
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