SEQ2FUN

BioLiP

PDB CCD ID: YXY
Number of entries in BioLiP: 1
Chemical formula: C7 H11 F2 N O
InChI: InChI=1S/C7H11F2NO/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H2,10,11)
InChIKey: JKPXYSGFTYLPTJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)C1CCC(F)(F)CC1
OpenEye OEToolkits 2.0.7C1CC(CCC1C(=O)N)(F)F
ACDLabs 12.01FC1(F)CCC(CC1)C(N)=O
Name:4,4-difluorocyclohexane-1-carboxamide
ZINC: ZINC000040186597
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).