Structure of PDB 7vzr Chain f Binding Site BS02 |
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Ligand ID | 85N |
InChI | InChI=1S/C39H75NO7/c1-33(2)26-22-18-14-10-8-12-16-20-24-28-36(41)45-32-38(46-31-35(39(43)44)30-40(5,6)7)47-37(42)29-25-21-17-13-9-11-15-19-23-27-34(3)4/h33-35,38H,8-32H2,1-7H3/p+1/t35-,38+/m0/s1 |
InChIKey | HRFZWHLOBWLUBX-ZGAWMTGXSA-O |
SMILES | Software | SMILES |
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CACTVS 3.385 | CC(C)CCCCCCCCCCCC(=O)OC[CH](OC[CH](C[N+](C)(C)C)C(O)=O)OC(=O)CCCCCCCCCCCC(C)C | OpenEye OEToolkits 2.0.7 | CC(C)CCCCCCCCCCCC(=O)OCC(OCC(C[N+](C)(C)C)C(=O)O)OC(=O)CCCCCCCCCCCC(C)C | OpenEye OEToolkits 2.0.7 | CC(C)CCCCCCCCCCCC(=O)OC[C@H](OC[C@H](C[N+](C)(C)C)C(=O)O)OC(=O)CCCCCCCCCCCC(C)C | CACTVS 3.385 | CC(C)CCCCCCCCCCCC(=O)OC[C@H](OC[C@H](C[N+](C)(C)C)C(O)=O)OC(=O)CCCCCCCCCCCC(C)C |
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Formula | C39 H76 N O7 |
Name | [(2~{S})-2-[[(1~{R})-1,2-bis(13-methyltetradecanoyloxy)ethoxy]methyl]-3-oxidanyl-3-oxidanylidene-propyl]-trimethyl-azanium |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 7vzr Chain A Residue 932
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Enzyme Commision number |
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