SEQ2FUN

BioLiP

PDB CCD ID: A1BUZ
Number of entries in BioLiP: 1
Chemical formula: C18 H16 F N O2
InChI: InChI=1S/C18H16FNO2/c19-14-9-7-13(8-10-14)17(21)15-5-1-2-6-16(15)18(22)20-11-3-4-12-20/h1-2,5-10H,3-4,11-12H2
InChIKey: CGIOLKUBBYIIIE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(cc1)C(=O)c2ccccc2C(=O)N3CCCC3
ACDLabs 14.52O=C(c1ccccc1C(=O)c1ccc(F)cc1)N1CCCC1
OpenEye OEToolkits 3.1.0.0c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)N3CCCC3
Name:[2-(4-fluorobenzoyl)phenyl](pyrrolidin-1-yl)methanone
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).