BioLiP

PDB

BioLiP

PDB CCD ID:

A1IBA

Number of entries in BioLiP:

Chemical formula:

C17 H15 N3 O

InChI:

InChI=1S/C17H15N3O/c1-2-16(21)20-13-9-7-12(8-10-13)17-14-5-3-4-6-15(14)18-11-19-17/h3-11H,2H2,1H3,(H,20,21)

InChIKey:

MUOSBHKCWDCAKK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCC(=O)Nc1ccc(cc1)c2c3ccccc3ncn2
CACTVS 3.385	CCC(=O)Nc1ccc(cc1)c2ncnc3ccccc23

Name:

N-(4-quinazolin-4-ylphenyl)propanamide

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).