SEQ2FUN

BioLiP

PDB CCD ID: A1CYF
Number of entries in BioLiP: 4
Chemical formula: C9 H9 N3 O
InChI: InChI=1S/C9H9N3O/c1-6-11-9(12-13-6)7-3-2-4-8(10)5-7/h2-5H,10H2,1H3
InChIKey: CTRGRIHPFAVSOF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1nc(no1)c2cccc(c2)N
CACTVS 3.385Cc1onc(n1)c2cccc(N)c2
ACDLabs 14.52Nc1cccc(c1)c1nc(C)on1
Name:3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
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).