BioLiP

PDB

BioLiP

PDB CCD ID:

C1C

Number of entries in BioLiP:

Chemical formula:

C22 H14 O4

InChI:

InChI=1S/C22H14O4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12H,(H,23,24)(H,25,26)

InChIKey:

YDZNRNHKJQTGCG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)c4ccc1c(cccc1)c4c2c3c(ccc2C(=O)O)cccc3
CACTVS 3.370	OC(=O)c1ccc2ccccc2c1c3c(ccc4ccccc34)C(O)=O
OpenEye OEToolkits 1.7.0	c1ccc2c(c1)ccc(c2c3c4ccccc4ccc3C(=O)O)C(=O)O

Name:

1,1'-binaphthalene-2,2'-dicarboxylic acid;
1-(2-carboxynaphth-1yl)-2-naphthoic acid

ChEMBL:

CHEMBL1231559

ZINC:

ZINC000000119674

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).