SEQ2FUN

BioLiP

PDB CCD ID: 5IB
Number of entries in BioLiP: 4
Chemical formula: C21 H16 N2 O5
InChI: InChI=1S/C21H16N2O5/c1-27-18-10-9-12(20(24)23-26)11-16(18)22-21(25)15-7-4-6-14-13-5-2-3-8-17(13)28-19(14)15/h2-11,26H,1H3,(H,22,25)(H,23,24)
InChIKey: RFROQVRGDKTHLN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1NC(=O)c2cccc3c2oc4c3cccc4)C(=O)NO
CACTVS 3.385COc1ccc(cc1NC(=O)c2cccc3c2oc4ccccc34)C(=O)NO
Name:~{N}-[2-methoxy-5-(oxidanylcarbamoyl)phenyl]dibenzofuran-4-carboxamide
ChEMBL: CHEMBL4847326
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).