BioLiP

PDB

BioLiP

PDB CCD ID:

SHI

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O4

InChI:

InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-12-8-5(3)9/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1

InChIKey:

ZKLGQYGPVBFAQQ-BYPYZUCNSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(N)Cc1conc1O
OpenEye OEToolkits 1.5.0	c1c(c(no1)O)CC(C(=O)O)N
CACTVS 3.341	N[CH](Cc1conc1O)C(O)=O
OpenEye OEToolkits 1.5.0	c1c(c(no1)O)C[C@@H](C(=O)O)N
CACTVS 3.341	N[C@@H](Cc1conc1O)C(O)=O

Name:

(S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID;
(S)-DES-ME-AMPA

DrugBank:

DB01664

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).