BioLiP

PDB

BioLiP

PDB CCD ID:

L6A

Number of entries in BioLiP:

Chemical formula:

C16 H14 N4 O2

InChI:

InChI=1S/C16H14N4O2/c17-15-13-5-12(16(18)22)11(6-14(13)19-8-20-15)10-3-1-2-9(4-10)7-21/h1-6,8,21H,7H2,(H2,18,22)(H2,17,19,20)

InChIKey:

UNWGLQGHMTWDJL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)c2cc3c(cc2C(=O)N)c(ncn3)N)CO
CACTVS 3.385	NC(=O)c1cc2c(N)ncnc2cc1c3cccc(CO)c3

Name:

4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide

ChEMBL:

CHEMBL5218823

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).