BioLiP

PDB

BioLiP

PDB CCD ID:

7L6

Number of entries in BioLiP:

Chemical formula:

C20 H29 N5 O3

InChI:

InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23)

InChIKey:

MEVMMQQJOXBSAX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N4CCOCC4
OpenEye OEToolkits 2.0.6	CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC
ACDLabs 12.01	c12nc(nc(c1cc(c(c2)OC)OC)NC3CCN(CC3)C)N4CCOCC4

Name:

6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine

ChEMBL:

CHEMBL571717

ZINC:

ZINC000036382498

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).