BioLiP

PDB

BioLiP

PDB CCD ID:

NKG

Number of entries in BioLiP:

Chemical formula:

C18 H14 N2 O4

InChI:

InChI=1S/C18H14N2O4/c21-15-9-8-14(20-17(15)18(24)19-10-16(22)23)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,21H,10H2,(H,19,24)(H,22,23)

InChIKey:

CQPTZSBTFPQERZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(NCC(=O)O)c1nc(ccc1O)c3c2ccccc2ccc3
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)cccc2c3ccc(c(n3)C(=O)NCC(=O)O)O
CACTVS 3.385	OC(=O)CNC(=O)c1nc(ccc1O)c2cccc3ccccc23

Name:

N-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine

ChEMBL:

CHEMBL5218636

ZINC:

ZINC000230520159

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).