Structure of PDB 7l2t Chain D Binding Site BS01 |
| >7l2t Chain D (length=584) Species: 10116 (Rattus norvegicus)
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DSEFKDPETGKTCLLKAMLNLHNGQNDTIALLLDVARKTDSLKQFVNASY
TDSYYKGQTALHIAIERRNMTLVTLLVENGADVQAAANGDFFKKTKGRPG
FYFGELPLSLAACTNQLAIVKFLLQNSWQPADISARDSVGNTVLHALVEV
ADNTVDNTKFVTSMYNEILILGAKLHPTLKLEEITNRKGLTPLALAASSG
KIGVLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKNS
VLEVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYCLY
MIIFTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSGGVYFFFRGIQ
YFLQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVASMVFS
LAMGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFSTA
VVTLIEDGKYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLAYV
ILTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKCMR
KAFRSGKLLQVGFTPDGKDDYRWCFRVDEVNWTT |
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| Ligand ID | 65I |
| InChI | InChI=1S/C22H44NO8P/c1-3-5-7-8-9-10-11-13-15-22(25)31-20(18-28-21(24)14-12-6-4-2)19-30-32(26,27)29-17-16-23/h20H,3-19,23H2,1-2H3,(H,26,27)/t20-/m1/s1 |
| InChIKey | WTEUZJKVOKXZKR-HXUWFJFHSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CCCCCCCCCCC(=O)OC(COC(=O)CCCCC)COP(=O)(O)OCCN | | CACTVS 3.385 | CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC)CO[P](O)(=O)OCCN | | CACTVS 3.385 | CCCCCCCCCCC(=O)O[CH](COC(=O)CCCCC)CO[P](O)(=O)OCCN | | OpenEye OEToolkits 2.0.7 | CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC)COP(=O)(O)OCCN | | ACDLabs 12.01 | NCCOP(OCC(COC(=O)CCCCC)OC(=O)CCCCCCCCCC)(O)=O |
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| Formula | C22 H44 N O8 P |
| Name | (9R,12R)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7l2t Chain E Residue 902
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