SEQ2FUN

BioLiP

PDB CCD ID: RE8
Number of entries in BioLiP: 5
Chemical formula: C20 H14 N2 O4 S
InChI: InChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/b22-21+
InChIKey: JSAKRLDIZOGQTN-QURGRASLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Oc1ccc2ccccc2c1N=Nc3ccc(c4ccccc34)[S](O)(=O)=O
OpenEye OEToolkits 1.7.6c1ccc2c(c1)ccc(c2/N=N/c3ccc(c4c3cccc4)S(=O)(=O)O)O
ACDLabs 12.01O=S(=O)(O)c4ccc(/N=N/c2c1ccccc1ccc2O)c3ccccc34
OpenEye OEToolkits 1.7.6c1ccc2c(c1)ccc(c2N=Nc3ccc(c4c3cccc4)S(=O)(=O)O)O
Name:4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;
Acid red 88
ChEMBL: CHEMBL122275
ZINC: ZINC000003846900
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).