BioLiP

PDB

BioLiP

PDB CCD ID:

QEU

Number of entries in BioLiP:

Chemical formula:

C18 H26 N4 O3

InChI:

InChI=1S/C18H26N4O3/c1-24-16-11-14-15(12-17(16)25-2)19-13-20-18(14)22-8-6-21(7-9-22)5-3-4-10-23/h11-13,23H,3-10H2,1-2H3

InChIKey:

AUJDIJFFUZNFMZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	COc1cc2c(cc1OC)ncnc2N1CCN(CCCCO)CC1
OpenEye OEToolkits 2.0.7	COc1cc2c(cc1OC)ncnc2N3CCN(CC3)CCCCO
CACTVS 3.385	COc1cc2ncnc(N3CCN(CCCCO)CC3)c2cc1OC

Name:

4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-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).