SEQ2FUN

BioLiP

PDB CCD ID: EJW
Number of entries in BioLiP: 3
Chemical formula: C10 H11 N2 O
InChI: InChI=1S/C10H10N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7,11H2/p+1
InChIKey: AQZLTCXQTOKUAA-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2cc(on2)C[NH3+]
CACTVS 3.385[NH3+]Cc1onc(c1)c2ccccc2
Name:(3-phenyl-1,2-oxazol-5-yl)methylazanium
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).