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BioLiP

PDB CCD ID: 0FR
Number of entries in BioLiP: 1
Chemical formula: C13 H9 N O2
InChI: InChI=1S/C13H9NO2/c15-13(12-6-3-7-16-12)10-8-14-11-5-2-1-4-9(10)11/h1-8,14H
InChIKey: ZGNXEAXRPSISJF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)C(=O)c3ccco3
CACTVS 3.370O=C(c1occc1)c2c[nH]c3ccccc23
ACDLabs 12.01O=C(c1cnc2ccccc12)c3occc3
Name:furan-2-yl(1H-indol-3-yl)methanone
ChEMBL: CHEMBL2032373
ZINC: ZINC000000566973
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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