SEQ2FUN

BioLiP

PDB CCD ID: NVU
Number of entries in BioLiP: 12
Chemical formula: C9 H7 N O3
InChI: InChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)
InChIKey: BVSIAYQIMUUCRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)Cc2noc1ccccc12
OpenEye OEToolkits 1.9.2c1ccc2c(c1)c(no2)CC(=O)O
CACTVS 3.385OC(=O)Cc1noc2ccccc12
Name:2-(1,2-benzoxazol-3-yl)ethanoic acid
ChEMBL: CHEMBL3792472
ZINC: ZINC000000161692
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).