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BioLiP

PDB CCD ID: LOT
Number of entries in BioLiP: 5
Chemical formula: C9 H9 N3 O4 S
InChI: InChI=1S/C9H9N3O4S/c10-17(15,16)6-1-2-7(11-5-6)12-8(13)3-4-9(12)14/h1-2,5H,3-4H2,(H2,10,15,16)
InChIKey: LBSDOHDMKVMJLR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O
CACTVS 3.385N[S](=O)(=O)c1ccc(nc1)N2C(=O)CCC2=O
Name:6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide
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)(download the PDF file).
  • 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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