BioLiP

PDB

BioLiP

PDB CCD ID:

LZO

Number of entries in BioLiP:

Chemical formula:

C15 H16 O3 S

InChI:

InChI=1S/C15H16O3S/c16-12-5-3-4-11(10-12)14-9-8-13(19-14)6-1-2-7-15(17)18/h3-5,8-10,16H,1-2,6-7H2,(H,17,18)

InChIKey:

IJYKTKXHUXBNPE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCCCc1sc(cc1)c2cccc(O)c2
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)O)c2ccc(s2)CCCCC(=O)O

Name:

5-(5-(3-hydroxyphenyl)thiophen-2-yl)pentanoic 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).