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BioLiP

PDB CCD ID: MRE
Number of entries in BioLiP: 6
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)c1ccc(cc1)N=Nc2ccccc2C(=O)O
CACTVS 3.341CN(C)c1ccc(cc1)N=Nc2ccccc2C(O)=O
OpenEye OEToolkits 1.5.0CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O
ACDLabs 10.04O=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, Peter L 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).

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