SEQ2FUN

BioLiP

PDB CCD ID: GX4
Number of entries in BioLiP: 12
Chemical formula: C14 H17 F N2 O
InChI: InChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2
InChIKey: FYCKRJKFEXRNGG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1N2CCN(CC2)C(=O)C3CC3)F
CACTVS 3.385Fc1ccc(cc1)N2CCN(CC2)C(=O)C3CC3
Name:cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
ChEMBL: CHEMBL1468135
ZINC: ZINC000000218564
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).