SEQ2FUN

BioLiP

PDB CCD ID: FQ7
Number of entries in BioLiP: 3
Chemical formula: C13 H9 Cl2 N O2
InChI: InChI=1S/C13H9Cl2NO2/c14-8-5-9(15)7-10(6-8)16-12-4-2-1-3-11(12)13(17)18/h1-7,16H,(H,17,18)
InChIKey: FNGSQOJHNAYHAT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2ccc(C(O)=O)c(Nc1cc(Cl)cc(c1)Cl)c2
CACTVS 3.385OC(=O)c1ccccc1Nc2cc(Cl)cc(Cl)c2
OpenEye OEToolkits 2.0.6c1ccc(c(c1)C(=O)O)Nc2cc(cc(c2)Cl)Cl
Name:2-[(3,5-dichlorophenyl)amino]benzoic acid
ChEMBL: CHEMBL22876
ZINC: ZINC000012956293
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).