BioLiP

PDB

BioLiP

PDB CCD ID:

A1ADF

Number of entries in BioLiP:

Chemical formula:

C15 H15 N3 O2

InChI:

InChI=1S/C15H15N3O2/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+

InChIKey:

WCKQPPQRFNHPRJ-WUKNDPDISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)c1ccc(cc1)N=Nc2ccc(cc2)C(=O)O
OpenEye OEToolkits 2.0.7	CN(C)c1ccc(cc1)/N=N/c2ccc(cc2)C(=O)O
CACTVS 3.385	CN(C)c1ccc(cc1)N=Nc2ccc(cc2)C(O)=O
ACDLabs 12.01	CN(C)c1ccc(/N=N/c2ccc(cc2)C(=O)O)cc1

Name:

4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid

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).