BioLiP

PDB

BioLiP

PDB CCD ID:

AHI

Number of entries in BioLiP:

Chemical formula:

C4 H13 N4 O

InChI:

InChI=1S/C4H12N4O/c5-2-1-3-7-4(6)8-9/h9H,1-3,5H2,(H3,6,7,8)/p+1

InChIKey:

HYBLXYGPQAIGPY-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C[NH3+])CNC(=NO)N
CACTVS 3.341	NC(NCCC[NH3+])=NO
ACDLabs 10.04	N(/O)=C(/N)NCCC[NH3+]
CACTVS 3.341	N\C(NCCC[NH3+])=N/O
OpenEye OEToolkits 1.5.0	C(C[NH3+])CN/C(=N/O)/N

Name:

3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}PROPAN-1-AMINIUM;
DESCARBOXY-NOR-N(OMEGA)-HYDROXY-L-ARGININE

DrugBank:

DB04197

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).