BioLiP

PDB

BioLiP

PDB CCD ID:

QUS

Number of entries in BioLiP:

Chemical formula:

C5 H7 N3 O5

InChI:

InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1

InChIKey:

ASNFTDCKZKHJSW-REOHCLBHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](CN1OC(=O)NC1=O)C(O)=O
OpenEye OEToolkits 1.5.0	C(C(C(=O)O)N)N1C(=O)NC(=O)O1
ACDLabs 10.04	O=C1NC(=O)ON1CC(N)C(=O)O
OpenEye OEToolkits 1.5.0	C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1
CACTVS 3.341	N[C@@H](CN1OC(=O)NC1=O)C(O)=O

Name:

(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID;
QUISQUALATE

ChEMBL:

CHEMBL279956

DrugBank:

DB02999

ZINC:

ZINC000000897456

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).