SEQ2FUN

BioLiP

PDB CCD ID: OLQ
Number of entries in BioLiP: 1
Chemical formula: C8 H7 F2 N O2
InChI: InChI=1S/C8H7F2NO2/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKey: JWQAQJXFEPQZIV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(c(c1F)C(=O)N)F
CACTVS 3.385COc1ccc(F)c(C(N)=O)c1F
Name:2,6-difluoro-3-methoxybenzamide;
2,6-bis(fluoranyl)-3-methoxy-benzamide
ChEMBL: CHEMBL453452
ZINC: ZINC000002527823

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).