Structure of PDB 6s7o Chain D Binding Site BS02 |
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Ligand ID | EGY |
InChI | InChI=1S/C33H66NO8P/c1-6-8-10-12-14-16-17-18-20-22-24-26-33(36)42-31(30-41-43(37,38)40-28-27-34(3,4)5)29-39-32(35)25-23-21-19-15-13-11-9-7-2/h31H,6-30H2,1-5H3/p+1/t31-/m1/s1 |
InChIKey | GGHWXDCJHDYMKO-WJOKGBTCSA-O |
SMILES | Software | SMILES |
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OpenEye OEToolkits 2.0.6 | CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C | OpenEye OEToolkits 2.0.6 | CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C | CACTVS 3.385 | CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C | CACTVS 3.385 | CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C | ACDLabs 12.01 | OP(=O)(OCC[N+](C)(C)C)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCC |
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Formula | C33 H67 N O8 P |
Name | (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 6s7o Chain D Residue 701
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Enzyme Commision number |
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