SEQ2FUN

BioLiP

PDB CCD ID: 2WR
Number of entries in BioLiP: 1
Chemical formula: C9 H8 F N O4
InChI: InChI=1S/C9H8FNO4/c10-5-1-2-6(9(11)14)7(3-5)15-4-8(12)13/h1-3H,4H2,(H2,11,14)(H,12,13)
InChIKey: PCNZVPHJJYWUKQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1ccc(F)cc1OCC(O)=O
OpenEye OEToolkits 1.7.6c1cc(c(cc1F)OCC(=O)O)C(=O)N
ACDLabs 12.01O=C(O)COc1cc(F)ccc1C(=O)N
Name:(2-carbamoyl-5-fluorophenoxy)acetic acid
ZINC: ZINC000230838520
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).