Structure of PDB 3kaa Chain B Binding Site BS02 |
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| Ligand ID | PSF |
| InChI | InChI=1S/C18H34NO10P/c1-3-5-7-9-16(20)26-11-14(29-17(21)10-8-6-4-2)12-27-30(24,25)28-13-15(19)18(22)23/h14-15H,3-13,19H2,1-2H3,(H,22,23)(H,24,25)/t14-,15+/m1/s1 |
| InChIKey | MIQYPPGTNIFAPO-CABCVRRESA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | CCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCC | | OpenEye OEToolkits 1.5.0 | CCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC | | CACTVS 3.341 | CCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCC | | OpenEye OEToolkits 1.5.0 | CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC | | ACDLabs 10.04 | O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCC)CCCCC |
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| Formula | C18 H34 N O10 P |
| Name | 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE;
PHOSPHATIDYLSERINE |
| ChEMBL | |
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| PDB chain | 3kaa Chain B Residue 120
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