BioLiP

PDB

BioLiP

PDB CCD ID:

A1H90

Number of entries in BioLiP:

Chemical formula:

C22 H26 Cl2 N4 O3

InChI:

InChI=1S/C22H26Cl2N4O3/c1-5-28(6-2)7-8-31-21-11-17-14(9-20(21)30-4)22(26-13-25-17)27-18-12-19(29-3)16(24)10-15(18)23/h9-13H,5-8H2,1-4H3,(H,25,26,27)

InChIKey:

YEUBZDYIRNCXGP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCN(CC)CCOc1cc2c(cc1OC)c(ncn2)Nc3cc(c(cc3Cl)Cl)OC
CACTVS 3.385	CCN(CC)CCOc1cc2ncnc(Nc3cc(OC)c(Cl)cc3Cl)c2cc1OC

Name:

N-[2,4-bis(chloranyl)-5-methoxy-phenyl]-7-[2-(diethylamino)ethoxy]-6-methoxy-quinazolin-4-amine

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).