SEQ2FUN

BioLiP

PDB CCD ID: HHY
Number of entries in BioLiP: 1
Chemical formula: C11 H10 N2 O3
InChI: InChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-13-11(16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKey: CUYMDSTYUZAYFH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2nnc(o2)CCC(=O)O
CACTVS 3.385OC(=O)CCc1oc(nn1)c2ccccc2
ACDLabs 12.01OC(=O)CCc1nnc(o1)c2ccccc2
Name:3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid
ChEMBL: CHEMBL4442518
ZINC: ZINC000004218189
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).