SEQ2FUN

BioLiP

PDB CCD ID: A1BUU
Number of entries in BioLiP: 1
Chemical formula: C15 H11 F O3
InChI: InChI=1S/C15H11FO3/c1-19-15(18)13-5-3-2-4-12(13)14(17)10-6-8-11(16)9-7-10/h2-9H,1H3
InChIKey: XVIFFHRWAZWIKN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)c1ccccc1C(=O)c2ccc(F)cc2
OpenEye OEToolkits 3.1.0.0COC(=O)c1ccccc1C(=O)c2ccc(cc2)F
ACDLabs 14.52O=C(c1ccc(F)cc1)c1ccccc1C(=O)OC
Name:methyl 2-(4-fluorobenzoyl)benzoate
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).