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BioLiP

PDB CCD ID: U8K
Number of entries in BioLiP: 1
Chemical formula: C12 H10 N2 O4 S
InChI: InChI=1S/C12H10N2O4S/c15-12(16)11-10(7-4-8-13-11)14-19(17,18)9-5-2-1-3-6-9/h1-8,14H,(H,15,16)
InChIKey: HOBWUTFQJLTDSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ncccc1N[S](=O)(=O)c2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)S(=O)(=O)Nc2cccnc2C(=O)O
Name:3-(phenylsulfonylamino)pyridine-2-carboxylic acid
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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