SEQ2FUN

BioLiP

PDB CCD ID: WN1
Number of entries in BioLiP: 5
Chemical formula: C14 H12 F N O2
InChI: InChI=1S/C14H12FNO2/c1-18-11-6-4-5-10(9-11)14(17)16-13-8-3-2-7-12(13)15/h2-9H,1H3,(H,16,17)
InChIKey: GIUMGIOTJZLCCG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COc1cccc(c1)C(=O)Nc2ccccc2F
ACDLabs 12.01c1cccc(c1NC(c2cccc(c2)OC)=O)F
Name:N-(2-fluorophenyl)-3-methoxybenzamide
ChEMBL: CHEMBL1488703
ZINC: ZINC000000288534
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).