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BioLiP

PDB CCD ID: A7N
Number of entries in BioLiP: 4
Chemical formula: C10 H15 N O
InChI: InChI=1S/C10H15NO/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3/t8-/m1/s1
InChIKey: LQISONQSSGPXMA-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOc1ccc(cc1)[CH](C)N
OpenEye OEToolkits 2.0.6CCOc1ccc(cc1)C(C)N
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCOc1ccc(cc1)[C@@H](C)N
Name:(1~{R})-1-(4-ethoxyphenyl)ethanamine
ZINC: ZINC000000295638
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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