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BioLiP

PDB CCD ID: XAP
Number of entries in BioLiP: 6
Chemical formula: C3 H10 N2 O
InChI: InChI=1S/C3H10N2O/c4-2-1-3-6-5/h1-5H2
InChIKey: VSZFWDPIWSPZON-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCCCON
ACDLabs 10.04O(N)CCCN
OpenEye OEToolkits 1.5.0C(CN)CON
Name:3-AMINOOXY-1-AMINOPROPANE
ChEMBL: CHEMBL281021
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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