BioLiP

PDB

BioLiP

PDB CCD ID:

QAX

Number of entries in BioLiP:

Chemical formula:

C17 H23 N3 O3

InChI:

InChI=1S/C17H23N3O3/c1-22-15-10-13-14(18-12-19-17(13)21)11-16(15)23-9-5-8-20-6-3-2-4-7-20/h10-12H,2-9H2,1H3,(H,18,19,21)

InChIKey:

DMNQXENATQIQBJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Oc1ncnc2cc(OCCCN3CCCCC3)c(OC)cc21
CACTVS 3.385	COc1cc2c(O)ncnc2cc1OCCCN3CCCCC3
OpenEye OEToolkits 2.0.7	COc1cc2c(cc1OCCCN3CCCCC3)ncnc2O

Name:

6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol

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).