SEQ2FUN

BioLiP

PDB CCD ID: 2YZ
Number of entries in BioLiP: 1
Chemical formula: C16 H14 F N O4
InChI: InChI=1S/C16H14FNO4/c17-12-6-7-13(14(8-12)22-10-15(19)20)16(21)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKey: RQCSQAIXIUJOJU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)CNC(=O)c2ccc(cc2OCC(=O)O)F
CACTVS 3.385OC(=O)COc1cc(F)ccc1C(=O)NCc2ccccc2
ACDLabs 12.01O=C(O)COc2cc(F)ccc2C(=O)NCc1ccccc1
Name:[2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid
ZINC: ZINC000230531319
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).