BioLiP

PDB

BioLiP

PDB CCD ID:

NAK

Number of entries in BioLiP:

Chemical formula:

C3 H5 N O2

InChI:

InChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)

InChIKey:

DUAWRLXHCUAWMK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=[NH2+])C(=O)[O-]
CACTVS 3.341	CC(=[NH2+])C([O-])=O
ACDLabs 10.04	[O-]C(=O)\C(=[NH2+])C

Name:

AMINO-ACRYLATE;
2-IMINIOPROPANOATE

DrugBank:

DB04212

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).