BioLiP

PDB

BioLiP

PDB CCD ID:

R4Z

Number of entries in BioLiP:

Chemical formula:

C12 H10 O3

InChI:

InChI=1S/C12H10O3/c1-2-7-5-9-8(3-4-11(9)13)10(6-7)12(14)15/h3-6H,2H2,1H3,(H,14,15)

InChIKey:

XWFSVEPQDLTABF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCc1cc(C(O)=O)c2C=CC(=O)c2c1
OpenEye OEToolkits 2.0.7	CCc1cc2c(c(c1)C(=O)O)C=CC2=O

Name:

6-ethyl-1-oxidanylidene-indene-4-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).