BioLiP

PDB

BioLiP

PDB CCD ID:

BGU

Number of entries in BioLiP:

Chemical formula:

C9 H8 N6 O

InChI:

InChI=1S/C9H8N6O/c10-8-13-5-1-3-4(2-6(5)14-8)12-9(11)15-7(3)16/h1-2H,(H3,10,13,14)(H3,11,12,15,16)

InChIKey:

WFECBOHPSURSGU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c2c(cc3c1[nH]c(n3)N)N=C(NC2=O)N
CACTVS 3.341	NC1=Nc2cc3nc(N)[nH]c3cc2C(=O)N1
ACDLabs 10.04	O=C1c3c(N=C(N1)N)cc2nc(N)nc2c3

Name:

2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one;
2-Amino-lin-Benzogunaine

DrugBank:

DB07452

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).