SEQ2FUN

BioLiP

PDB CCD ID: EJQ
Number of entries in BioLiP: 7
Chemical formula: C12 H15 F N2 O
InChI: InChI=1S/C12H15FN2O/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)
InChIKey: XUHKVJOCQINJLO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1NC(=O)CN2CCCC2)F
CACTVS 3.385Fc1ccc(NC(=O)CN2CCCC2)cc1
Name:~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide
ChEMBL: CHEMBL1406979
ZINC: ZINC000000527883

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).