SEQ2FUN

BioLiP

PDB CCD ID: KB3
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N3 O2
InChI: InChI=1S/C9H9N3O2/c1-13-7-5-3-2-4-6(7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
InChIKey: HTILGWBWTPTFES-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccccc1c2nnc(o2)N
CACTVS 3.385COc1ccccc1c2oc(N)nn2
ACDLabs 12.01Nc1nnc(o1)c1ccccc1OC
Name:(5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
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).