BioLiP

PDB

BioLiP

PDB CCD ID:

6P6

Number of entries in BioLiP:

Chemical formula:

C16 H13 N3 O

InChI:

InChI=1S/C16H13N3O/c1-11(20)12-7-8-14-15(9-12)17-10-18-16(14)19-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,18,19)

InChIKey:

PJPNKKKIJHLRQY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3
CACTVS 3.385	CC(=O)c1ccc2c(Nc3ccccc3)ncnc2c1

Name:

1-(4-phenylazanylquinazolin-7-yl)ethanone

ZINC:

ZINC000584904806

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).