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BioLiP Library

PDB CCD ID: A1APX
Number of entries in BioLiP: 0
Chemical formula: C13 H10 N2 O2
InChI: InChI=1S/C13H10N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,(H,16,17)/b15-14+
InChIKey: CSPTZWQFHBVOLO-CCEZHUSRSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1ccc(/N=N/c2ccccc2)cc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)N=Nc2ccc(cc2)C(=O)O
CACTVS 3.385OC(=O)c1ccc(cc1)N=Nc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)/N=N/c2ccc(cc2)C(=O)O
Name:4-[(E)-phenyldiazenyl]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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