SEQ2FUN

BioLiP

PDB CCD ID: A1B04
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O2
InChI: InChI=1S/C12H12N2O2/c15-12(10-4-2-1-3-5-10)13-7-6-11-8-16-9-14-11/h1-5,8-9H,6-7H2,(H,13,15)
InChIKey: INXUYTDTOJRNGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)C(=O)NCCc2cocn2
CACTVS 3.385O=C(NCCc1cocn1)c2ccccc2
ACDLabs 14.52O=C(NCCc1cocn1)c1ccccc1
Name:N-[2-(1,3-oxazol-4-yl)ethyl]benzamide
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).