BioLiP

PDB

BioLiP

PDB CCD ID:

WXC

Number of entries in BioLiP:

Chemical formula:

C8 H9 N3 O

InChI:

InChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11)

InChIKey:

ZXWJMLMXKMSYTP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c2c(nc(n1)N)CCCC2=O
CACTVS 3.385	Nc1ncc2C(=O)CCCc2n1

Name:

2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one

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).