BioLiP

PDB

BioLiP

PDB CCD ID:

A1H0C

Number of entries in BioLiP:

Chemical formula:

C19 H14 Cl N O4

InChI:

InChI=1S/C19H14ClNO4/c20-13-8-9-15(19(23)24)16(10-13)21-18(22)11-25-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)(H,23,24)

InChIKey:

OKFVCWAYHJMQFA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cccc2OCC(=O)Nc3cc(ccc3C(=O)O)Cl
CACTVS 3.385	OC(=O)c1ccc(Cl)cc1NC(=O)COc2cccc3ccccc23

Name:

4-chloranyl-2-(2-naphthalen-1-yloxyethanoylamino)benzoic acid

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).