LC1

2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide

Created: 2008-12-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count28
Aromatic Bond Count16
2D diagram of LC1
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Chemical Component Summary

Name2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide
Systematic Name (OpenEye OEToolkits)2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide
FormulaC10 H8 N4 O2 S2
Molecular Weight280.326
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=S(=O)(N)c3ccc2c(nc(c1ncsc1)n2)c3
SMILESCACTVS3.341N[S](=O)(=O)c1ccc2[nH]c(nc2c1)c3cscn3
SMILESOpenEye OEToolkits1.5.0c1cc2c(cc1S(=O)(=O)N)nc([nH]2)c3cscn3
Canonical SMILESCACTVS3.341 N[S](=O)(=O)c1ccc2[nH]c(nc2c1)c3cscn3
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc2c(cc1S(=O)(=O)N)nc([nH]2)c3cscn3
InChIInChI1.03 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)
InChIKeyInChI1.03 KGMVTZZDGKDTEU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08083 
Name2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide
Groups experimental
Synonyms2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Carbonic anhydrase 2MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVS...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL455271
PubChem 44144383
ChEMBL CHEMBL455271