BioLiP

PDB

BioLiP

PDB CCD ID:

MRE

Number of entries in BioLiP:

Chemical formula:

C15 H15 N3 O2

InChI:

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

InChIKey:

CEQFOVLGLXCDCX-WUKNDPDISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN(C)c1ccc(cc1)N=Nc2ccccc2C(=O)O
CACTVS 3.341	CN(C)c1ccc(cc1)N=Nc2ccccc2C(O)=O
OpenEye OEToolkits 1.5.0	CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O
ACDLabs 10.04	O=C(O)c2ccccc2/N=N/c1ccc(N(C)C)cc1

Name:

2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID;
METHYL RED

ChEMBL:

CHEMBL375971

DrugBank:

DB08209

ZINC:

ZINC000003877658

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).