BioLiP

PDB

BioLiP

PDB CCD ID:

GPA

Number of entries in BioLiP:

Chemical formula:

C4 H10 N4 O2

InChI:

InChI=1S/C4H10N4O2/c5-2(3(9)10)1-8-4(6)7/h2H,1,5H2,(H,9,10)(H4,6,7,8)/t2-/m0/s1

InChIKey:

XNBJHKABANTVCP-REOHCLBHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H](CNC(N)=N)C(O)=O
OpenEye OEToolkits 1.5.0	[H]/N=C(/N)\NC[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CNC(=[N@H])N
CACTVS 3.341	N[CH](CNC(N)=N)C(O)=O
OpenEye OEToolkits 1.5.0	[H]N=C(N)NCC(C(=O)O)N

Name:

2-AMINO-3-GUANIDINO-PROPIONIC ACID

ChEMBL:

CHEMBL20667

ZINC:

ZINC000002384694

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).