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BioLiP

PDB CCD ID: AAG
Number of entries in BioLiP: 3
Chemical formula: C8 H16 N4 O3
InChI: InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1
InChIKey: SNEIUMQYRCDYCH-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NC(CCCNC(=N)N)C(=O)O
ACDLabs 10.04O=C(NC(C(=O)O)CCCNC(=[N@H])N)C
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O
CACTVS 3.341CC(=O)N[CH](CCCNC(N)=N)C(O)=O
CACTVS 3.341CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Name:N-ALPHA-L-ACETYL-ARGININE
DrugBank: DB01985
ZINC: ZINC000001847640
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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