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BioLiP

PDB CCD ID: A1IWR
Number of entries in BioLiP: 2
Chemical formula: C5 H8 N2 O
InChI: InChI=1S/C5H8N2O/c1-4-2-5(3-6)7-8-4/h2H,3,6H2,1H3
InChIKey: AZVWIMLQRLKLHH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1onc(CN)c1
OpenEye OEToolkits 2.0.7Cc1cc(no1)CN
Name:(5-methyl-1,2-oxazol-3-yl)methanamine
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).
  • 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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