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BioLiP

PDB CCD ID: 3I0
Number of entries in BioLiP: 2
Chemical formula: C10 H9 N O7 S2
InChI: InChI=1S/C10H9NO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKey: APRRQJCCBSJQOQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)O
CACTVS 3.385Nc1cc(cc2cc(cc(O)c12)[S](O)(=O)=O)[S](O)(=O)=O
ACDLabs 12.01O=S(=O)(O)c1cc2cc(cc(O)c2c(N)c1)S(=O)(=O)O
Name:4-amino-5-hydroxynaphthalene-2,7-disulfonic acid
ChEMBL: CHEMBL60494
ZINC: ZINC000001648147
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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