BioLiP

PDB

BioLiP

PDB CCD ID:

A1IXV

Number of entries in BioLiP:

Chemical formula:

C10 H12 Cl N3 O2

InChI:

InChI=1S/C10H12ClN3O2/c11-5-9(16)13-7-4-8(15)14-10-6(7)2-1-3-12-10/h4H,1-3,5H2,(H3,12,13,14,15,16)

InChIKey:

RKWRPDDLRMOMHG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CC2=C(NC1)NC(=O)C=C2NC(=O)CCl
CACTVS 3.385	ClCC(=O)NC1=CC(=O)NC2=C1CCCN2

Name:

2-chloranyl-~{N}-(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-1,8-naphthyridin-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).