BioLiP

PDB

BioLiP

PDB CCD ID:

6H6

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O4

InChI:

InChI=1S/C10H9NO4/c12-9(13)5-6-11-7-3-1-2-4-8(7)15-10(11)14/h1-4H,5-6H2,(H,12,13)/p-1

InChIKey:

BMLRDVCKJXMASM-UHFFFAOYSA-M

SMILES:

Software	SMILES
ACDLabs 12.01	[O-]C(=O)CCN1c2ccccc2OC1=O
CACTVS 3.370	OC(=O)CCN1C(=O)Oc2ccccc12
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)N(C(=O)O2)CCC(=O)O

Name:

3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid

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).