SEQ2FUN

BioLiP

PDB CCD ID: 17C
Number of entries in BioLiP: 9
Chemical formula: C14 H11 N O4
InChI: InChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
InChIKey: ZFRNOTZQUGWMQN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O
CACTVS 3.370OC(=O)c1ccccc1Nc2ccccc2C(O)=O
ACDLabs 12.01O=C(O)c2c(Nc1ccccc1C(=O)O)cccc2
Name:2,2'-iminodibenzoic acid
ChEMBL: CHEMBL1526652
ZINC: ZINC000000154566
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).