BioLiP

PDB

BioLiP

PDB CCD ID:

MGX

Number of entries in BioLiP:

Chemical formula:

C2 H7 N3

InChI:

InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)

InChIKey:

CHJJGSNFBQVOTG-UHFFFAOYSA-N

SMILES:

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

Name:

1-METHYLGUANIDINE

ZINC:

ZINC000004658576

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).