Structure of PDB 7vzg Chain f Binding Site BS01 |
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Ligand ID | 85I |
InChI | InChI=1S/C35H70NO8P/c1-31(2)24-20-16-12-8-6-10-14-18-22-26-33(37)41-30-35(44-45(39,40)42-29-28-36-5)43-34(38)27-23-19-15-11-7-9-13-17-21-25-32(3)4/h31-32,35-36H,6-30H2,1-5H3,(H,39,40)/t35-/m1/s1 |
InChIKey | JRBIDHJPLMRMHE-PGUFJCEWSA-N |
SMILES | Software | SMILES |
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CACTVS 3.385 | CNCCO[P](O)(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C | OpenEye OEToolkits 2.0.7 | CC(C)CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCC(C)C)OP(=O)(O)OCCNC | CACTVS 3.385 | CNCCO[P](O)(=O)O[CH](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C | OpenEye OEToolkits 2.0.7 | CC(C)CCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCCC(C)C)OP(=O)(O)OCCNC |
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Formula | C35 H70 N O8 P |
Name | [(2~{R})-2-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-(13-methyltetradecanoyloxy)ethyl] 13-methyltetradecanoate |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 7vzg Chain A Residue 917
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Enzyme Commision number |
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