Structure of PDB 7pi0 Chain C Binding Site BS15 |
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Ligand ID | LPX |
InChI | InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m0/s1 |
InChIKey | YVYMBNSKXOXSKW-FQEVSTJZSA-N |
SMILES | Software | SMILES |
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ACDLabs 10.04 | O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O | CACTVS 3.341 | CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@@](O)(=O)OCCN | CACTVS 3.341 | CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCCN |
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Formula | C21 H44 N O7 P |
Name | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate |
ChEMBL | |
DrugBank | |
ZINC | ZINC000032840705
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PDB chain | 7pi0 Chain S Residue 625
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Enzyme Commision number |
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