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BioLiP

PDB CCD ID: AHI
Number of entries in BioLiP: 3
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C[NH3+])CNC(=NO)N
CACTVS 3.341NC(NCCC[NH3+])=NO
ACDLabs 10.04N(/O)=C(/N)NCCC[NH3+]
CACTVS 3.341N\C(NCCC[NH3+])=N/O
OpenEye OEToolkits 1.5.0C(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, 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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