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BioLiP Library

PDB CCD ID: A1IBI
Number of entries in BioLiP: 1
Chemical formula: C11 H17 N O
InChI: InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/t10-/m0/s1
InChIKey: VLPIATFUUWWMKC-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cccc(c1OC[C@H](C)N)C
CACTVS 3.385C[CH](N)COc1c(C)cccc1C
OpenEye OEToolkits 2.0.7Cc1cccc(c1OCC(C)N)C
CACTVS 3.385C[C@H](N)COc1c(C)cccc1C
Name:(2~{S})-1-(2,6-dimethylphenoxy)propan-2-amine
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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