BioLiP

PDB

BioLiP

PDB CCD ID:

SQO

Number of entries in BioLiP:

Chemical formula:

C15 H18 N6 O2

InChI:

InChI=1S/C15H18N6O2/c22-14-10-7-12-13(8-11(10)17-9-18-14)20-15(19-12)16-1-2-21-3-5-23-6-4-21/h7-9H,1-6H2,(H2,16,19,20)(H,17,18,22)

InChIKey:

IQPSZZDLHUVVGO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1c2cc3nc(nc3cc2N=CN1)NCCN4CCOCC4
OpenEye OEToolkits 1.5.0	c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O
CACTVS 3.341	O=C1NC=Nc2cc3nc(NCCN4CCOCC4)[nH]c3cc12

Name:

2-{[2-(4-Morpholinyl)ethyl]amino}-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

ChEMBL:

CHEMBL1236036

ZINC:

ZINC000058649958

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).