BioLiP

PDB

BioLiP

PDB CCD ID:

KU1

Number of entries in BioLiP:

Chemical formula:

C11 H9 N3 O4

InChI:

InChI=1S/C11H9N3O4/c15-8(16)5-12-11(18)9-10(17)6-3-1-2-4-7(6)13-14-9/h1-4H,5H2,(H,12,18)(H,13,17)(H,15,16)

InChIKey:

WSQQFPKJCSYPLX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=O)C(=NN2)C(=O)NCC(=O)O
ACDLabs 12.01	C(=O)(O)CNC(=O)C=2C(c1ccccc1NN=2)=O
CACTVS 3.385	OC(=O)CNC(=O)C1=NNc2ccccc2C1=O

Name:

N-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine

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).