BioLiP

PDB

BioLiP

PDB CCD ID:

9I8

Number of entries in BioLiP:

Chemical formula:

C19 H17 N5 O2

InChI:

InChI=1S/C19H17N5O2/c1-24-11-15(10-21-24)22-19-20-9-14-7-13(8-17(26-2)18(14)23-19)12-3-5-16(25)6-4-12/h3-11,25H,1-2H3,(H,20,22,23)

InChIKey:

GNVJDFYURAVLOR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1cc(cn1)Nc2ncc3cc(cc(c3n2)OC)c4ccc(cc4)O
CACTVS 3.385	COc1cc(cc2cnc(Nc3cnn(C)c3)nc12)c4ccc(O)cc4

Name:

4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol

ChEMBL:

CHEMBL5084861

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).