Structure of PDB 9ayj Chain A Binding Site BS09 |
| >9ayj Chain A (length=1056) Species: 9606 (Homo sapiens)
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LVCNPWFEHVSMLVIMLNCVTLGMFRPCEDVECGSERCNILEAFDAFIFA
FFAVEMVIKMVALGLDTWNRLDFFIVVAGMMEYSLDGHNVSLSAIRTVRV
LRPLRAINRVPSMRILVTLLLDTLPMLGNVLLLCFFVFFIFGIVGVQLWA
GLLRNRCFLDSAFVRNNNLTFLRPYYQTEEGEENPFICSSRRDNGMQKCS
HIPGRRINWNQYYNVCRSGDSNPHNGAINFDNIGYAWIAIFQVITLEGWV
DIMYYVMDAHSFYNFIYFILLIIVGSFFMINLCLVVIATQFSETRIVDSK
YFSRGIMMAILVNTLSMGVEYHEQPEELTNALEISNIVFTSMFALEMLLK
LLACGPLGYIRNPYNIFDGIIVVISVWEIVGQSVLRTFRLLRVLKLVRFL
PALRRQLVVLVKTMDNVATFCTLLMLFIFIFSILGMHLFGCKFSPDRKNF
DSLLWAIVTVFQILTQEDWNVVLYNGMASTSSWAALYFVALMTFGNYVLF
NLLVAILVEGFQARFRVSCQKVITHKMFDHVVLVFIFLNCVTIALERPDI
DPGSTERVFLSVSNYIFTAIFVAEMMVKVVALGLLSGEHAYLQSSWNLLD
GLLVLVSLVDIVVAMAGAKILGVLRVLRLLRTLRPLRVISRAPGLKLVVE
TLISSLRPIGNIVLICCAFFIIFGILGVQLFKGKFYYCEGPDTRNISTKA
QCRAAHYRWVRRKYNFDNLGQALMSLFVLSSKDGWVNIMYDGLDAVGVDQ
QPVQNHNPWMLLYFISFLLIVSFFVLNMFVGVVVENFHKCRQHSPTRRSI
HSLCTSHYLDLFITFIICVNVITMSMEHYNQPKSLDEALKYCNYVFTIVF
VFEAALKLVAFGFRRFFKDRWNQLDLAIVLLSLMGITLEEIEMSAALPIN
PTIIRIMRVLRIARVLKLLKMATGMRALLDTVVQALPQVGNLGLLFMLLF
FIYAALGVELFGRLECSEDNPCEGLSRHATFSNFGMAFLTLFRVSTGDNW
NGIMKDTLRECSREDKHCLSYLPALSPVYFVTFVLVAQFVLVNVVVAVLM
KHLEES |
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| Ligand ID | JL3 |
| InChI | InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36)44-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)/t33-/m1/s1 |
| InChIKey | SKVKIGSFTGVBOX-MGBGTMOVSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC | | OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC | | CACTVS 3.385 | CCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC | | CACTVS 3.385 | CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC |
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| Formula | C35 H70 N O8 P |
| Name | [(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-pentadecanoyloxy-propyl] pentadecanoate;
1,2-Dipentadecanoyl-sn-glycero-3-phosphoethanolamine;
PE(15:0/15:0) |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 9ayj Chain A Residue 2411
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