SEQ2FUN

BioLiP

PDB CCD ID: A1BX8
Number of entries in BioLiP: 2
Chemical formula: C11 H11 N3 O2
InChI: InChI=1S/C11H11N3O2/c1-7-6-10(14-16-7)11(15)13-9-5-3-2-4-8(9)12/h2-6H,12H2,1H3,(H,13,15)
InChIKey: UGYGWUULRFOGSL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1onc(c1)C(=O)Nc2ccccc2N
ACDLabs 14.52Cc1cc(no1)C(=O)Nc1ccccc1N
OpenEye OEToolkits 3.1.0.0Cc1cc(no1)C(=O)Nc2ccccc2N
Name:N-(2-aminophenyl)-5-methyl-1,2-oxazole-3-carboxamide
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).