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BioLiP Library

PDB CCD ID: A1AP3
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3 O2
InChI: InChI=1S/C10H11N3O2/c1-2-9-11-8(12-15-9)7-13-6-4-3-5-10(13)14/h3-6H,2,7H2,1H3
InChIKey: LLAHWSDSLKVDNQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCc1onc(CN2C=CC=CC2=O)n1
OpenEye OEToolkits 2.0.7CCc1nc(no1)CN2C=CC=CC2=O
ACDLabs 12.01O=C1C=CC=CN1Cc1nc(CC)on1
Name:1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2(1H)-one
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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