BioLiP

PDB

BioLiP

PDB CCD ID:

794

Number of entries in BioLiP:

Chemical formula:

C19 H13 N O5

InChI:

InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-10-4-3-9-14(16)18(22)23)15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,22,23)(H,24,25)

InChIKey:

WQWCUHJIERBOSM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O
CACTVS 3.341	OC(=O)C(=O)N(c1ccccc1C(O)=O)c2cccc3ccccc23
ACDLabs 10.04	O=C(N(c2c1ccccc1ccc2)c3ccccc3C(=O)O)C(=O)O

Name:

2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID;
COMPOUND 5;
2-(NAPHTHALEN-1-YL-OXALYL-AMINO)-BENZOIC ACID

ChEMBL:

CHEMBL64934

DrugBank:

DB03982

ZINC:

ZINC000002047608

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).