SEQ2FUN

BioLiP

PDB CCD ID: 5VU
Number of entries in BioLiP: 7
Chemical formula: C11 H12 F2 N2 O
InChI: InChI=1S/C11H12F2N2O/c12-8-3-4-10(9(13)7-8)14-11(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,14,16)
InChIKey: CPBDOIXLUULXND-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1F)F)NC(=O)N2CCCC2
CACTVS 3.385Fc1ccc(NC(=O)N2CCCC2)c(F)c1
ACDLabs 12.01O=C(Nc1ccc(F)cc1F)N2CCCC2
Name:N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide
ZINC: ZINC000006740973
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).