BioLiP

PDB

BioLiP

PDB CCD ID:

A1EBA

Number of entries in BioLiP:

Chemical formula:

C10 H10 O3

InChI:

InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)

InChIKey:

KMQLIDDEQAJAGJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)CCC(=O)O
CACTVS 3.385	OC(=O)CCC(=O)c1ccccc1

Name:

4-oxidanylidene-4-phenyl-butanoic 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).