BioLiP

PDB

BioLiP

PDB CCD ID:

JBC

Number of entries in BioLiP:

Chemical formula:

C14 H10 N2 O6

InChI:

InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+

InChIKey:

QQBDLJCYGRGAKP-FOCLMDBBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1cc(ccc1O)N=Nc2ccc(O)c(c2)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc(c(cc1/N=N/c2ccc(c(c2)C(=O)O)O)C(=O)O)O
OpenEye OEToolkits 2.0.7	c1cc(c(cc1N=Nc2ccc(c(c2)C(=O)O)O)C(=O)O)O

Name:

5-[(E)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid

ChEMBL:

CHEMBL425

DrugBank:

DB01250

ZINC:

ZINC000003812865

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).