SEQ2FUN

BioLiP

PDB CCD ID: Q0R
Number of entries in BioLiP: 8
Chemical formula: C10 H11 F2 N
InChI: InChI=1S/C10H11F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m1/s1
InChIKey: NCXSNNVYILYEBC-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(F)c(c1)[CH]2CCCN2
OpenEye OEToolkits 2.0.7c1cc(c(cc1F)C2CCCN2)F
CACTVS 3.385Fc1ccc(F)c(c1)[C@H]2CCCN2
Name:2-[2,5-bis(fluoranyl)phenyl]pyrrolidine
ZINC: ZINC000004299178
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).