SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C4 H9 N3 O2

InChI:

InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)

InChIKey:

KMXXSJLYVJEBHI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CNC(=N)N)C(=O)O
CACTVS 3.385	NC(=N)NCCC(O)=O
OpenEye OEToolkits 2.0.7	[H]/N=C(\N)/NCCC(=O)O

Name:

3-carbamimidamidopropanoic acid;
beta-Guanidinopropionic acid;
Guanidinopropionic acid;
ompenaclid

ChEMBL:

DrugBank:

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).