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BioLiP

PDB CCD ID: 5HS
Number of entries in BioLiP: 1
Chemical formula: C11 H12 N2 O
InChI: InChI=1S/C11H12N2O/c1-9-8-14-13-11(9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,4-5H2,1H3
InChIKey: ZUKCCHMCKBWNOY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2ncc(CCc1c(con1)C)cc2
CACTVS 3.385
OpenEye OEToolkits 1.9.2		Cc1conc1CCc2cccnc2
Name:3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine
ZINC: ZINC000584905064
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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