BioLiP

PDB

BioLiP

PDB CCD ID:

DHA

Number of entries in BioLiP:

Chemical formula:

C3 H5 N O2

InChI:

InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)

InChIKey:

UQBOJOOOTLPNST-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(=C)\N
CACTVS 3.341	NC(=C)C(O)=O
OpenEye OEToolkits 1.5.0	C=C(C(=O)O)N

Name:

2-AMINO-ACRYLIC ACID;
2,3-DIDEHYDROALANINE

DrugBank:

DB02688

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).