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BioLiP Library

PDB CCD ID: 5WN
Number of entries in BioLiP: 1
Chemical formula: C9 H10 N2 O2 S2
InChI: InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
InChIKey: AWSKBQNOSRREEY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc2c(c1)c(cs2)CNS(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)NCc1csc2ccccc12
Name:3-[(sulfamoylamino)methyl]-1-benzothiophene;
JNJ-26990990
ChEMBL: CHEMBL466517
ZINC: ZINC000038247259
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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