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BioLiP

PDB CCD ID: Q5U
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3
InChIKey: RPZMFKMYOVWSQN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CNC[C@H]1COc2ccccc2O1
CACTVS 3.385CNC[CH]1COc2ccccc2O1
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CNCC1COc2ccccc2O1
Name:1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine
ChEMBL: CHEMBL4555564
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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