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BioLiP Library

PDB CCD ID: HAB
Number of entries in BioLiP: 2
Chemical formula: C13 H10 N2 O3
InChI: InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)/b15-14+
InChIKey: DWQOTEPNRWVUDA-CCEZHUSRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)/N=N/c2ccc(cc2)O
CACTVS 3.341Oc1ccc(cc1)N=Nc2ccccc2C(O)=O
ACDLabs 10.04O=C(O)c2ccccc2/N=N/c1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)N=Nc2ccc(cc2)O
Name:2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID
DrugBank: DB07880
ZINC: ZINC000003861151
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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