BioLiP

PDB

BioLiP

PDB CCD ID:

NRG

Number of entries in BioLiP:

Chemical formula:

C6 H13 N5 O4

InChI:

InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1

InChIKey:

MRAUNPAHJZDYCK-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](CCCNC(=N)N[N+]([O-])=O)C(O)=O
ACDLabs 10.04	[O-][N+](=O)NC(=[N@H])NCCCC(C(=O)O)N
CACTVS 3.341	N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0	[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-]
OpenEye OEToolkits 1.5.0	[H]N=C(NCCCC(C(=O)O)N)N[N+](=O)[O-]

Name:

N-OMEGA-NITRO-L-ARGININE;
NNA

ChEMBL:

CHEMBL227744

DrugBank:

DB04223

ZINC:

ZINC000019796052

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).