BioLiP

PDB

BioLiP

PDB CCD ID:

761

Number of entries in BioLiP:

Chemical formula:

C13 H9 N O5

InChI:

InChI=1S/C13H9NO5/c15-11(13(18)19)14-10-6-8-4-2-1-3-7(8)5-9(10)12(16)17/h1-6H,(H,14,15)(H,16,17)(H,18,19)

InChIKey:

DQBLKSRRWDWNKQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)C(=O)Nc1cc2ccccc2cc1C(O)=O
OpenEye OEToolkits 1.5.0	c1ccc2cc(c(cc2c1)C(=O)O)NC(=O)C(=O)O
ACDLabs 10.04	O=C(O)C(=O)Nc2c(cc1c(cccc1)c2)C(=O)O

Name:

3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXYLIC ACID

ChEMBL:

CHEMBL383570

DrugBank:

DB01734

ZINC:

ZINC000002007904

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).