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BioLiP

PDB CCD ID: OSA
Number of entries in BioLiP: 2
Chemical formula: C20 H15 N3 O8 S2
InChI: InChI=1S/C20H15N3O8S2/c21-12-1-3-16-10(5-12)8-18(33(29,30)31)19(20(16)25)23-22-13-2-4-15-11(6-13)7-14(9-17(15)24)32(26,27)28/h1-9,24-25H,21H2,(H,26,27,28)(H,29,30,31)/b23-22+
InChIKey: ZSHNSNDVNDUHIM-GHVJWSGMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(cc1N)cc(c(c2O)N=Nc3ccc4c(c3)cc(cc4O)S(=O)(=O)O)S(=O)(=O)O
CACTVS 3.370Nc1ccc2c(O)c(N=Nc3ccc4c(O)cc(cc4c3)[S](O)(=O)=O)c(cc2c1)[S](O)(=O)=O
ACDLabs 12.01O=S(=O)(O)c4cc3cc(/N=N/c2c(O)c1c(cc(cc1)N)cc2S(=O)(=O)O)ccc3c(O)c4
OpenEye OEToolkits 1.7.0c1cc2c(cc1N)cc(c(c2O)/N=N/c3ccc4c(c3)cc(cc4O)S(=O)(=O)O)S(=O)(=O)O
Name:7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
ChEMBL: CHEMBL1092443
ZINC: ZINC000005010475
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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