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BioLiP

PDB CCD ID: VVK
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N O3
InChI: InChI=1S/C11H15NO3/c1-11(2,10(13)14)12-8-6-4-5-7-9(8)15-3/h4-7,12H,1-3H3,(H,13,14)
InChIKey: UZHWAXFPZBAHMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01COc1ccccc1NC(C)(C)C(=O)O
CACTVS 3.385COc1ccccc1NC(C)(C)C(O)=O
OpenEye OEToolkits 2.0.7CC(C)(C(=O)O)Nc1ccccc1OC
Name:N-(2-methoxyphenyl)-2-methyl-L-alanine
ZINC: ZINC000004244812
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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