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BioLiP

PDB CCD ID: RMU
Number of entries in BioLiP: 1
Chemical formula: C12 H9 Cl N4 O4 S
InChI: InChI=1S/C12H9ClN4O4S/c1-6-10(3-9(21-6)12(15)18)22(19,20)17-8-2-7(4-14)11(13)16-5-8/h2-3,5,17H,1H3,(H2,15,18)
InChIKey: WARQQVLLUYXXAU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(cc(o1)C(=O)N)S(=O)(=O)Nc2cc(c(nc2)Cl)C#N
CACTVS 3.385Cc1oc(cc1[S](=O)(=O)Nc2cnc(Cl)c(c2)C#N)C(N)=O
ACDLabs 12.01O=S(=O)(Nc1cc(C#N)c(Cl)nc1)c1cc(oc1C)C(N)=O
Name:4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide
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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