BioLiP

PDB

BioLiP

PDB CCD ID:

ZU9

Number of entries in BioLiP:

Chemical formula:

C20 H19 N3 O4

InChI:

InChI=1S/C20H19N3O4/c24-18(21-12-14-6-2-1-3-7-14)13-23-17(10-11-19(25)26)22-16-9-5-4-8-15(16)20(23)27/h1-9H,10-13H2,(H,21,24)(H,25,26)

InChIKey:

QZFFZTYIGSWGJT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CNC(=O)CN2C(=Nc3ccccc3C2=O)CCC(=O)O
ACDLabs 12.01	O=C(O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NCc1ccccc1
CACTVS 3.385	OC(=O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NCc3ccccc3

Name:

3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid

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).