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BioLiP

PDB CCD ID: 5NS
Number of entries in BioLiP: 3
Chemical formula: C10 H9 N O3 S
InChI: InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
InChIKey: DQNAQOYOSRJXFZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1cccc2c1cccc2[S](O)(=O)=O
ACDLabs 10.04O=S(=O)(O)c1cccc2c1cccc2N
OpenEye OEToolkits 1.5.0c1cc2c(cccc2S(=O)(=O)O)c(c1)N
Name:5-aminonaphthalene-1-sulfonic acid
ChEMBL: CHEMBL589370
DrugBank: DB07176
ZINC: ZINC000001683633
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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