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BioLiP Library

PDB CCD ID: AAR
Number of entries in BioLiP: 1
Chemical formula: C6 H16 N5 O
InChI: InChI=1S/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)/p+1/t4-/m0/s1
InChIKey: ULEBESPCVWBNIF-BYPYZUCNSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)N)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(N)=O
ACDLabs 10.04O=C(N)C(N)CCCN\C(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(N)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)N)N)CNC(=[NH2+])N
Name:ARGININEAMIDE
DrugBank: DB02299
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)(download the PDF file).
  • 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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