SEQ2FUN

BioLiP

PDB CCD ID: OFL
Number of entries in BioLiP: 1
Chemical formula: C14 H10 F3 N O2
InChI: InChI=1S/C14H10F3NO2/c15-14(16,17)10-6-2-4-8-12(10)18-11-7-3-1-5-9(11)13(19)20/h1-8,18H,(H,19,20)
InChIKey: ONKHJNFXJDEMNQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04FC(F)(F)c2ccccc2Nc1c(C(=O)O)cccc1
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F
CACTVS 3.341OC(=O)c1ccccc1Nc2ccccc2C(F)(F)F
Name:O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID
DrugBank: DB02179
ZINC: ZINC000002046924
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).