SEQ2FUN

BioLiP

PDB CCD ID: FA0
Number of entries in BioLiP: 8
Chemical formula: C7 H6 F N O2
InChI: InChI=1S/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
InChIKey: LGPVTNAJFDUWLF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1F)N)C(=O)O
ACDLabs 12.01O=C(O)c1ccc(F)cc1N
CACTVS 3.385Nc1cc(F)ccc1C(O)=O
Name:2-amino-4-fluorobenzoic acid
ZINC: ZINC000000389796
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).