BioLiP

PDB

BioLiP

PDB CCD ID:

5VO

Number of entries in BioLiP:

Chemical formula:

C12 H14 O3

InChI:

InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)

InChIKey:

AIEMSTCGCMIJTI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1ccc(cc1)C(=O)CCCCC(=O)O
CACTVS 3.385	OC(=O)CCCCC(=O)c1ccccc1

Name:

6-oxidanylidene-6-phenyl-hexanoic acid;
5-Benzoylpentanoic Acid

ZINC:

ZINC000001712905

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).