Structure of PDB 6i3y Chain F Binding Site BS01 |
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| Ligand ID | P5S |
| InChI | InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1 |
| InChIKey | TZCPCKNHXULUIY-RGULYWFUSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC | | CACTVS 3.370 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC | | ACDLabs 12.01 | O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | | OpenEye OEToolkits 1.7.6 | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC | | OpenEye OEToolkits 1.7.6 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC |
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| Formula | C42 H82 N O10 P |
| Name | O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine;
phosphatidyl serine |
| ChEMBL | CHEMBL4297669 |
| DrugBank | DB00144 |
| ZINC | ZINC000085588270
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| PDB chain | 6i3y Chain F Residue 201
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