SEQ2FUN

BioLiP

PDB CCD ID: 6F0
Number of entries in BioLiP: 4
Chemical formula: C7 H6 F N O2
InChI: InChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey: RWSFZKWMVWPDGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1c(F)cccc1N
OpenEye OEToolkits 1.9.2c1cc(c(c(c1)F)C(=O)O)N
CACTVS 3.385Nc1cccc(F)c1C(O)=O
Name:2-azanyl-6-fluoranyl-benzoic acid;
6-fluoroanthranilate
ChEMBL: CHEMBL4453722
ZINC: ZINC000000153055
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).