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BioLiP

PDB CCD ID: HMJ
Number of entries in BioLiP: 0
Chemical formula: C16 H17 N O2
InChI: InChI=1S/C16H17NO2/c1-17(2)9-10-18-12-7-8-16-14(11-12)13-5-3-4-6-15(13)19-16/h3-8,11H,9-10H2,1-2H3
InChIKey: GQEGJXFTHBKSKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN(C)CCOc1ccc2c(c1)c3ccccc3o2
ACDLabs 12.01c1c(OCCN(C)C)ccc3c1c2c(cccc2)o3
CACTVS 3.385CN(C)CCOc1ccc2oc3ccccc3c2c1
Name:2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-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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