BioLiP

PDB

BioLiP

PDB CCD ID:

SKI

Number of entries in BioLiP:

Chemical formula:

C22 H19 N3 O3

InChI:

InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)

InChIKey:

DMWVGXGXHPOEPT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
OpenEye OEToolkits 2.0.7	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)Oc4ccccc4
ACDLabs 12.01	COc1cc2c(cc1OC)ncnc2Nc1ccc(Oc2ccccc2)cc1

Name:

6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine

ChEMBL:

CHEMBL97771

ZINC:

ZINC000001386783

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).