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BioLiP

PDB CCD ID: LC1
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N4 O2 S2
InChI: InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)
InChIKey: KGMVTZZDGKDTEU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=S(=O)(N)c3ccc2c(nc(c1ncsc1)n2)c3
OpenEye OEToolkits 1.5.0c1cc2c(cc1S(=O)(=O)N)nc([nH]2)c3cscn3
CACTVS 3.341N[S](=O)(=O)c1ccc2[nH]c(nc2c1)c3cscn3
Name:2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide
ChEMBL: CHEMBL455271
DrugBank: DB08083
ZINC: ZINC000039716428
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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