BioLiP

PDB

BioLiP

PDB CCD ID:

QB3

Number of entries in BioLiP:

Chemical formula:

C16 H21 N3 O3

InChI:

InChI=1S/C16H21N3O3/c1-19-5-3-11(4-6-19)9-22-15-8-13-12(7-14(15)21-2)16(20)18-10-17-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18,20)

InChIKey:

JXVISOHOJNTGTD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)O
CACTVS 3.385	COc1cc2c(O)ncnc2cc1OCC3CCN(C)CC3
ACDLabs 12.01	CN1CCC(COc2cc3ncnc(O)c3cc2OC)CC1

Name:

6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol

ZINC:

ZINC000095830035

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).