BioLiP

PDB

BioLiP

PDB CCD ID:

UKE

Number of entries in BioLiP:

Chemical formula:

C9 H7 N O4

InChI:

InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)

InChIKey:

SNQUKJWKYRHONV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc2c(c1)nc(o2)C(=O)O
CACTVS 3.385	COc1ccc2oc(nc2c1)C(O)=O

Name:

5-methoxy-1,3-benzoxazole-2-carboxylic acid;
5-Methoxybenzo[d]oxazole-2-carboxylic acid

ZINC:

ZINC000072338580

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).