SEQ2FUN

BioLiP

PDB CCD ID: OBA
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N O5
InChI: InChI=1S/C9H7NO5/c11-7(9(14)15)10-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,10,11)(H,12,13)(H,14,15)
InChIKey: QBYNNSFEMMNINN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(Nc1ccccc1C(=O)O)C(=O)O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)NC(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)Nc1ccccc1C(O)=O
Name:2-(OXALYL-AMINO)-BENZOIC ACID
ChEMBL: CHEMBL139050
DrugBank: DB02622
ZINC: ZINC000002007905
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).