BioLiP

PDB

BioLiP

PDB CCD ID:

NAB

Number of entries in BioLiP:

Chemical formula:

C17 H12 N2 O3

InChI:

InChI=1S/C17H12N2O3/c20-16-10-9-15(11-5-1-2-6-12(11)16)19-18-14-8-4-3-7-13(14)17(21)22/h1-10,20H,(H,21,22)/b19-18+

InChIKey:

SXAUIPSOPPASFY-VHEBQXMUSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)c1ccccc1N=Nc2ccc(O)c3ccccc23
ACDLabs 10.04	O=C(O)c3ccccc3/N=N/c2c1ccccc1c(O)cc2
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(ccc2O)N=Nc3ccccc3C(=O)O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(ccc2O)/N=N/c3ccccc3C(=O)O

Name:

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

DrugBank:

DB08252

ZINC:

ZINC000004954387

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).