BioLiP

PDB

BioLiP

PDB CCD ID:

MHB

Number of entries in BioLiP:

Chemical formula:

C14 H12 N2 O3

InChI:

InChI=1S/C14H12N2O3/c1-9-8-10(6-7-13(9)17)15-16-12-5-3-2-4-11(12)14(18)19/h2-8,17H,1H3,(H,18,19)/b16-15+

InChIKey:

SBSCJWJICRGLIV-FOCLMDBBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1cc(ccc1O)N=Nc2ccccc2C(=O)O
CACTVS 3.341	Cc1cc(ccc1O)N=Nc2ccccc2C(O)=O
ACDLabs 10.04	O=C(O)c2ccccc2/N=N/c1ccc(O)c(c1)C
OpenEye OEToolkits 1.5.0	Cc1cc(ccc1O)/N=N/c2ccccc2C(=O)O

Name:

2-((3'-METHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID

DrugBank:

DB08181

ZINC:

ZINC000006522023

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).