BioLiP

PDB

BioLiP

PDB CCD ID:

PW2

Number of entries in BioLiP:

Chemical formula:

C19 H16 N2 O5

InChI:

InChI=1S/C19H16N2O5/c1-26-15-5-4-11-6-12(2-3-13(11)7-15)14-8-16(22)18(20-9-14)19(25)21-10-17(23)24/h2-9,22H,10H2,1H3,(H,21,25)(H,23,24)

InChIKey:

PJNFXXUNCQIGBZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc2cc(ccc2c1)c3cnc(c(O)c3)C(=O)NCC(O)=O
OpenEye OEToolkits 2.0.7	COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)NCC(=O)O)O

Name:

2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic 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).