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BioLiP

PDB CCD ID: YEY
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N O2
InChI: InChI=1S/C12H11NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h1-5,8,13H,6-7H2
InChIKey: DDNMUDQYOUUNRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1c(ccc2c1OCCO2)c3cccn3
OpenEye OEToolkits 2.0.7c1cc([nH]c1)c2ccc3c(c2)OCCO3
CACTVS 3.385C1COc2cc(ccc2O1)c3[nH]ccc3
Name:2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole
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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