SEQ2FUN

BioLiP

PDB CCD ID: TLF
Number of entries in BioLiP: 9
Chemical formula: C14 H12 Cl N O2
InChI: InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKey: YEZNLOUZAIOMLT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(cccc1Cl)Nc2ccccc2C(=O)O
CACTVS 3.370Cc1c(Cl)cccc1Nc2ccccc2C(O)=O
ACDLabs 12.01Clc2cccc(Nc1ccccc1C(=O)O)c2C
Name:2-[(3-chloro-2-methylphenyl)amino]benzoic acid;
Tolfenamic acid
ChEMBL: CHEMBL121626
DrugBank: DB09216
ZINC: ZINC000000002188
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).