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BioLiP

PDB CCD ID: ORA
Number of entries in BioLiP: 0
Chemical formula: C16 H12 N2 O7 S2
InChI: InChI=1S/C16H12N2O7S2/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+
InChIKey: MPVDXIMFBOLMNW-ISLYRVAYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Oc1ccc2cc(cc(c2c1N=Nc3ccccc3)[S](O)(=O)=O)[S](O)(=O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)/N=N/c2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O
OpenEye OEToolkits 1.7.0c1ccc(cc1)N=Nc2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O
ACDLabs 12.01O=S(=O)(O)c3c2c(ccc(O)c2/N=N/c1ccccc1)cc(c3)S(=O)(=O)O
Name:7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid;
Orange G
ChEMBL: CHEMBL1615565
ZINC: ZINC000004261935
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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