BioLiP

PDB

BioLiP

PDB CCD ID:

U7C

Number of entries in BioLiP:

Chemical formula:

C12 H8 N2 O3

InChI:

InChI=1S/C12H8N2O3/c15-12(16)10-5-11(17-14-10)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,15,16)

InChIKey:

LTJHKDMGKKYAIF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1cc(on1)c2c[nH]c3ccccc23
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(c[nH]2)c3cc(no3)C(=O)O

Name:

5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic 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).