BioLiP

PDB

BioLiP

PDB CCD ID:

AM1

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O5

InChI:

InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)

InChIKey:

JDNMYUBSFDGCSX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c(c(no1)C(=O)O)CC(C(=O)O)N
ACDLabs 10.04	O=C(O)c1noc(c1CC(C(=O)O)N)C
CACTVS 3.341	Cc1onc(C(O)=O)c1CC(N)C(O)=O

Name:

(S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID;
ACPA

ChEMBL:

CHEMBL12442

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).