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BioLiP

PDB CCD ID: RXG
Number of entries in BioLiP: 1
Chemical formula: C12 H10 F N O2
InChI: InChI=1S/C12H10FNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h1-8H,9H2
InChIKey: ACRFZYHPFRBKAZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccn(c1)C(=O)COc2ccc(cc2)F
ACDLabs 12.01C(Oc1ccc(cc1)F)C(=O)n2cccc2
CACTVS 3.385Fc1ccc(OCC(=O)n2cccc2)cc1
Name:2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one
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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