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BioLiP

PDB CCD ID: MHB
Number of entries in BioLiP: 2
Chemical formula: C14 H12 N2 O3
InChI: InChI=1S/C14H12N2O3/c1-9-8-10(6-7-13(9)17)15-16-12-5-3-2-4-11(12)14(18)19/h2-8,17H,1H3,(H,18,19)/b16-15+
InChIKey: SBSCJWJICRGLIV-FOCLMDBBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc(ccc1O)N=Nc2ccccc2C(=O)O
CACTVS 3.341Cc1cc(ccc1O)N=Nc2ccccc2C(O)=O
ACDLabs 10.04O=C(O)c2ccccc2/N=N/c1ccc(O)c(c1)C
OpenEye OEToolkits 1.5.0Cc1cc(ccc1O)/N=N/c2ccccc2C(=O)O
Name:2-((3'-METHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
DrugBank: DB08181
ZINC: ZINC000006522023
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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