BioLiP

PDB

BioLiP

PDB CCD ID:

ZU6

Number of entries in BioLiP:

Chemical formula:

C14 H15 N3 O4

InChI:

InChI=1S/C14H15N3O4/c1-15-12(18)8-17-11(6-7-13(19)20)16-10-5-3-2-4-9(10)14(17)21/h2-5H,6-8H2,1H3,(H,15,18)(H,19,20)

InChIKey:

DEMTVGMQPPAESO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNC(=O)CN1C(=Nc2ccccc2C1=O)CCC(=O)O
ACDLabs 12.01	O=C(O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NC
CACTVS 3.385	CNC(=O)CN1C(=O)c2ccccc2N=C1CCC(O)=O

Name:

3-{3-[2-(methylamino)-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).