BioLiP

PDB

BioLiP

PDB CCD ID:

9I5

Number of entries in BioLiP:

Chemical formula:

C15 H13 N3 O2

InChI:

InChI=1S/C15H13N3O2/c1-20-13-7-10(9-2-4-12(19)5-3-9)6-11-8-17-15(16)18-14(11)13/h2-8,19H,1H3,(H2,16,17,18)

InChIKey:

XMZXPVWZSUCWOA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cc(cc2c1nc(nc2)N)c3ccc(cc3)O
CACTVS 3.385	COc1cc(cc2cnc(N)nc12)c3ccc(O)cc3

Name:

4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol

ChEMBL:

CHEMBL5088804

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).