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BioLiP

PDB CCD ID: DMB
Number of entries in BioLiP: 2
Chemical formula: C15 H14 N2 O3
InChI: InChI=1S/C15H14N2O3/c1-9-7-11(8-10(2)14(9)18)16-17-13-6-4-3-5-12(13)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+
InChIKey: ZMDQWZFZPGJFPM-WUKNDPDISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc(cc(c1O)C)N=Nc2ccccc2C(=O)O
ACDLabs 10.04O=C(O)c2ccccc2/N=N/c1cc(c(O)c(c1)C)C
CACTVS 3.341Cc1cc(cc(C)c1O)N=Nc2ccccc2C(O)=O
Name:2-((3',5'-DIMETHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
DrugBank: DB07667
ZINC: ZINC000005067020
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)(download the PDF file).
  • 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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