SEQ2FUN

BioLiP

PDB CCD ID: Z4X
Number of entries in BioLiP: 1
Chemical formula: C11 H14 F N O2
InChI: InChI=1S/C11H14FNO2/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3
InChIKey: BFFKGZZBXHSQPZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOc1c(F)cccc1C(=O)N(C)C
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CCOc1c(cccc1F)C(=O)N(C)C
Name:2-ethoxy-3-fluoro-N,N-dimethylbenzamide
ZINC: ZINC000096430546
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).