BioLiP

PDB

BioLiP

PDB CCD ID:

DTQ

Number of entries in BioLiP:

Chemical formula:

C16 H15 N3 O3

InChI:

InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)

InChIKey:

BNDYIYYKEIXHNK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
ACDLabs 10.04	n2c1c(cc(OC)c(OC)c1)c(nc2)Nc3cccc(O)c3
OpenEye OEToolkits 1.5.0	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O

Name:

4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE

ChEMBL:

CHEMBL127907

DrugBank:

DB03365

ZINC:

ZINC000003828650

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).