SEQ2FUN

BioLiP

PDB CCD ID: Z5C
Number of entries in BioLiP: 6
Chemical formula: C6 H8 N2 O3
InChI: InChI=1S/C6H8N2O3/c1-10-3-4-2-5(6(7)9)8-11-4/h2H,3H2,1H3,(H2,7,9)
InChIKey: XJISISZPFKFZEU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COCc1cc(no1)C(=O)N
CACTVS 3.385COCc1onc(c1)C(N)=O
ACDLabs 12.01O=C(N)c1cc(COC)on1
Name:5-(methoxymethyl)-1,2-oxazole-3-carboxamide
ZINC: ZINC000085222241
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).