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BioLiP

PDB CCD ID: 2IQ
Number of entries in BioLiP: 0
Chemical formula: C8 H17 N O2
InChI: InChI=1S/C8H17NO2/c1-2-3-4-5-6-9-7-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKey: DAQPDSNNUNDKNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCNCC(=O)O
CACTVS 3.385CCCCCCNCC(O)=O
Name:2-(hexylamino)ethanoic acid
ZINC: ZINC000001679250
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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