BioLiP

PDB

BioLiP

PDB CCD ID:

N8Y

Number of entries in BioLiP:

Chemical formula:

C9 H9 N3 O

InChI:

InChI=1S/C9H9N3O/c1-13-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3,(H2,10,11,12)

InChIKey:

QVBPHARYACNVKM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COc1ccc2c(c1)c(ncn2)N
CACTVS 3.385	COc1ccc2ncnc(N)c2c1

Name:

6-methoxyquinazolin-4-amine

ZINC:

ZINC000071618102

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).