Structure of PDB 8uo8 Chain A Binding Site BS05 |
| >8uo8 Chain A (length=574) Species: 9606 (Homo sapiens)
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DEEQLAHQYETIMDECGHGRFQWILFFVLGLALMADGVEVFVVSFALPSA
EKDMCLSSSKKGMLGMIVYLGMMAGAFILGGLADKLGRKRVLSMSLAVNA
SFASLSSFVQGYGAFLFCRLISGIGIGGALPIVFAYFSEFLSREKRGEHL
SWLGIFWMTGGLYASAMAWSIIPHYGWGFSMGTNYHFHSWRVFVIVCALP
CTVSMVALKFMPESPRFLLEMGKHDEAWMILKQVHDTNMRAKGTPEKVFT
VSNIKTPFKTIFKQVWDNALYCVMGPYRMNTLILAVVWFAMAFSYYGLTV
WFPDMIRYFQDEEYKSKMKVFFGEHVYGATINFTMENQIHQHGKLVNDKF
TRMYFKHVLFEDTFFDECYFEDVTSTDTYFKNCTIESTIFYNTDLYEHKF
INCRFINSTFLEQKEGCHMDLEQDNDFLIYLVSFLGSLSVLPGNIISALL
MDRIGRLKMIGGSMLISAVCCFFLFFGNSESAMIGWQCLFCGTSIAAWNA
LDVITVELYPTNQRATAFGILNGLCKFGAILGNTIFASFVGITKVVPILL
AAASLVGGGLIALRLPETREQVLM |
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| Ligand ID | 43Y |
| InChI | InChI=1S/C14H28NO8P/c1-6-13(16)20-10-12(23-14(17)7-2)11-22-24(18,19)21-9-8-15(3,4)5/h12H,6-11H2,1-5H3/p+1/t12-/m1/s1 |
| InChIKey | LMBVWVMURYPSQM-GFCCVEGCSA-O |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | CCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC | | OpenEye OEToolkits 1.7.6 | CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC | | CACTVS 3.385 | CCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC | | CACTVS 3.385 | CCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC | | ACDLabs 12.01 | O=C(OCC(OC(=O)CC)COP(=O)(OCC[N+](C)(C)C)O)CC |
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| Formula | C14 H29 N O8 P |
| Name | [(2R)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate;
1,2-dipropionyl-sn-glycero-3-phosphocholine |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000013508374
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| PDB chain | 8uo8 Chain A Residue 708
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