BioLiP

PDB

BioLiP

PDB CCD ID:

XZ1

Number of entries in BioLiP:

Chemical formula:

C15 H11 Cl F N3 O2

InChI:

InChI=1S/C15H11ClFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7,21H,1H3,(H,18,19,20)

InChIKey:

JLVTVCRXFMLUIF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F
CACTVS 3.385	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O

Name:

4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol

ZINC:

ZINC000022056459

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).