SEQ2FUN

BioLiP

PDB CCD ID: A1CDX
Number of entries in BioLiP: 3
Chemical formula: C7 H13 F2 N
InChI: InChI=1S/C7H13F2N/c8-7(9)4-1-2-6(7)3-5-10/h6H,1-5,10H2/t6-/m0/s1
InChIKey: OUORFBWHYHZQIN-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0C1C[C@H](C(C1)(F)F)CCN
OpenEye OEToolkits 3.1.0.0C1CC(C(C1)(F)F)CCN
CACTVS 3.385NCC[CH]1CCCC1(F)F
CACTVS 3.385NCC[C@@H]1CCCC1(F)F
ACDLabs 14.52FC1(F)CCCC1CCN
Name:2-[(1S)-2,2-difluorocyclopentyl]ethan-1-amine
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).