SEQ2FUN

BioLiP

PDB CCD ID: 5RG
Number of entries in BioLiP: 5
Chemical formula: C7 H6 F N O2
InChI: InChI=1S/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey: FPQMGQZTBWIHDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1cc(c(cc1F)C(=O)O)N
CACTVS 3.370Nc1ccc(F)cc1C(O)=O
ACDLabs 12.01O=C(O)c1cc(F)ccc1N
Name:2-amino-5-fluorobenzoic acid
ChEMBL: CHEMBL4585642
ZINC: ZINC000000165667
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).