SEQ2FUN

BioLiP

PDB CCD ID: 644
Number of entries in BioLiP: 2
Chemical formula: C21 H16 N2 O6
InChI: InChI=1S/C21H16N2O6/c24-19(25)12-6-1-3-8-14(12)22-16-10-5-11-17(18(16)21(28)29)23-15-9-4-2-7-13(15)20(26)27/h1-11,22-23H,(H,24,25)(H,26,27)(H,28,29)
InChIKey: KUKYCRSGSBMBMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccccc1Nc2cccc(Nc3ccccc3C(O)=O)c2C(O)=O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)O)Nc2cccc(c2C(=O)O)Nc3ccccc3C(=O)O
ACDLabs 12.01O=C(O)c1ccccc1Nc3cccc(Nc2c(C(=O)O)cccc2)c3C(=O)O
Name:2,6-bis[(2-carboxyphenyl)amino]benzoic acid
ChEMBL: CHEMBL4449602
ZINC: ZINC000098208533
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).