BioLiP

PDB

BioLiP

PDB CCD ID:

A1I32

Number of entries in BioLiP:

Chemical formula:

C11 H9 Cl N2 O2

InChI:

InChI=1S/C11H9ClN2O2/c12-6-11(16)14-9-5-10(15)13-8-4-2-1-3-7(8)9/h1-5H,6H2,(H2,13,14,15,16)

InChIKey:

WCDQYUZFGMSWLL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=CC(=O)N2)NC(=O)CCl
CACTVS 3.385	ClCC(=O)NC1=CC(=O)Nc2ccccc12

Name:

2-chloranyl-~{N}-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanamide

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).