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BioLiP

PDB CCD ID: ORI
Number of entries in BioLiP: 8
Chemical formula: C16 H12 N2 O4 S
InChI: InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+
InChIKey: PURJGKXXWJKIQR-ISLYRVAYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Oc1ccc(N=Nc2ccc(cc2)[S](O)(=O)=O)c3ccccc13
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(ccc2O)N=Nc3ccc(cc3)S(=O)(=O)O
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(ccc2O)/N=N/c3ccc(cc3)S(=O)(=O)O
ACDLabs 12.01O=S(=O)(O)c3ccc(/N=N/c2c1ccccc1c(O)cc2)cc3
Name:4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid;
Orange I
ZINC: ZINC000004416663
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).
  • 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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