SEQ2FUN

BioLiP

PDB CCD ID: A1AYL
Number of entries in BioLiP: 1
Chemical formula: C11 H11 F2 N O
InChI: InChI=1S/C11H11F2NO/c12-9-5-4-8(6-10(9)13)14-11(15)7-2-1-3-7/h4-7H,1-3H2,(H,14,15)
InChIKey: XASPAHIFZGPPJW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1NC(=O)C2CCC2)F)F
CACTVS 3.385Fc1ccc(NC(=O)C2CCC2)cc1F
ACDLabs 12.01O=C(Nc1cc(F)c(F)cc1)C1CCC1
Name:N-(3,4-difluorophenyl)cyclobutanecarboxamide
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).