SEQ2FUN

BioLiP

PDB CCD ID: 9TZ
Number of entries in BioLiP: 2
Chemical formula: C8 H7 F O2
InChI: InChI=1S/C8H7FO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey: JVBLXLBINTYFPR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(F)cc1C(O)=O
OpenEye OEToolkits 2.0.6Cc1ccc(cc1C(=O)O)F
Name:5-fluoranyl-2-methyl-benzoic acid
ChEMBL: CHEMBL5285114
ZINC: ZINC000000167088
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).