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BioLiP Library

PDB CCD ID: A1ADF
Number of entries in BioLiP: 0
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(C)c1ccc(cc1)N=Nc2ccc(cc2)C(=O)O
OpenEye OEToolkits 2.0.7CN(C)c1ccc(cc1)/N=N/c2ccc(cc2)C(=O)O
CACTVS 3.385CN(C)c1ccc(cc1)N=Nc2ccc(cc2)C(O)=O
ACDLabs 12.01CN(C)c1ccc(/N=N/c2ccc(cc2)C(=O)O)cc1
Name:4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid
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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