BioLiP

PDB

BioLiP

PDB CCD ID:

OG9

Number of entries in BioLiP:

Chemical formula:

C18 H12 O2

InChI:

InChI=1S/C18H12O2/c19-16(20)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-9H,10H2,(H,19,20)

InChIKey:

SDJCLYBBPUHKCD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2ccc3ccc(c4c3c2c(c1)cc4)CC(=O)O
ACDLabs 12.01	O=C(O)Cc1ccc2ccc3cccc4ccc1c2c34
CACTVS 3.385	OC(=O)Cc1ccc2ccc3cccc4ccc1c2c34

Name:

(pyren-1-yl)acetic acid

ZINC:

ZINC000000395527

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).