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BioLiP

PDB CCD ID: NRG
Number of entries in BioLiP: 7
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:
SoftwareSMILES
CACTVS 3.341N[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 3.341N[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, Peter L 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).

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