BioLiP

PDB

BioLiP

PDB CCD ID:

HAB

Number of entries in BioLiP:

Chemical formula:

C13 H10 N2 O3

InChI:

InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)/b15-14+

InChIKey:

DWQOTEPNRWVUDA-CCEZHUSRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(c(c1)C(=O)O)/N=N/c2ccc(cc2)O
CACTVS 3.341	Oc1ccc(cc1)N=Nc2ccccc2C(O)=O
ACDLabs 10.04	O=C(O)c2ccccc2/N=N/c1ccc(O)cc1
OpenEye OEToolkits 1.5.0	c1ccc(c(c1)C(=O)O)N=Nc2ccc(cc2)O

Name:

2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID

DrugBank:

DB07880

ZINC:

ZINC000003861151

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).