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BioLiP

PDB CCD ID: W3O
Number of entries in BioLiP: 10
Chemical formula: C15 H27 N2 O2 Si
InChI: InChI=1S/C15H26N2O2Si/c1-15(2,3)20(4,5)19-11-7-10-17-9-6-8-13(12-17)14(16)18/h6,8-9,12H,7,10-11H2,1-5H3,(H-,16,18)/p+1
InChIKey: IGAWBMMYKICDLH-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(N)c1ccc[n+](CCCO[Si](C)(C)C(C)(C)C)c1
OpenEye OEToolkits 2.0.7CC(C)(C)[Si](C)(C)OCCC[n+]1cccc(c1)C(=O)N
CACTVS 3.385CC(C)(C)[Si](C)(C)OCCC[n+]1cccc(c1)C(N)=O
Name:1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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