Structure of PDB 8uo8 Chain A Binding Site BS02 |
| >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 | PS1 |
| InChI | InChI=1S/C26H50NO10P/c1-3-5-7-9-11-13-15-17-24(28)34-19-22(20-35-38(32,33)36-21-23(27)26(30)31)37-25(29)18-16-14-12-10-8-6-4-2/h22-23H,3-21,27H2,1-2H3,(H,30,31)(H,32,33)/p-1/t22-,23+/m1/s1 |
| InChIKey | LRIPXDCMGANCAE-PKTZIBPZSA-M |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | CCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCC | | ACDLabs 10.04 | O=C(OCC(OC(=O)CCCCCCCCC)COP([O-])(=O)OCC(N)C(=O)O)CCCCCCCCC | | OpenEye OEToolkits 1.5.0 | CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)O)N)OC(=O)CCCCCCCCC | | CACTVS 3.341 | CCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCC | | OpenEye OEToolkits 1.5.0 | CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCC |
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| Formula | C26 H49 N O10 P |
| Name | 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE] |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8uo8 Chain A Residue 705
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