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BioLiP

PDB CCD ID: PG3
Number of entries in BioLiP: 6
Chemical formula: C4 H12 N3 O
InChI: InChI=1S/C4H11N3O/c5-4(6)7-2-1-3-8/h8H,1-3H2,(H4,5,6,7)/p+1
InChIKey: JDXXTKLHHZMVIO-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CNC(=[NH2+])N)CO
CACTVS 3.341NC(=[NH2+])NCCCO
ACDLabs 10.04OCCCNC(=[NH2+])\N
Name:GUANIDINE-3-PROPANOL
DrugBank: DB03637
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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