BioLiP

PDB

BioLiP

PDB CCD ID:

BNA

Number of entries in BioLiP:

Chemical formula:

C24 H20 O2

InChI:

InChI=1S/C24H20O2/c25-24(26)21(15-19-11-5-9-17-7-1-3-13-22(17)19)16-20-12-6-10-18-8-2-4-14-23(18)20/h1-14,21H,15-16H2,(H,25,26)

InChIKey:

RMTCEQSLPGEKAH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)cccc2CC(Cc3cccc4c3cccc4)C(=O)O
CACTVS 3.341	OC(=O)C(Cc1cccc2ccccc12)Cc3cccc4ccccc34
ACDLabs 10.04	O=C(O)C(Cc2c1ccccc1ccc2)Cc4cccc3ccccc34

Name:

BIS-(NAPHTHYL-1-METHYL) ACETIC ACID

ZINC:

ZINC000033595850

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).