| Reaction Details |
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| Report a problem with these data |
| Target | Caspase-6 |
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| Ligand | Thiophene Scaffold 66a |
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| Substrate/Competitor | Caspase-6 Fluorometric Substrate Ac-Val-Glu-Ile-Asp-AFC |
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| Meas. Tech. | Fluorometric Assay |
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| pH | 7.4±n/a |
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| Temperature | 298.15±n/a K |
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| Ki | 540±n/a nM |
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| Citation |  Choong, IC; Lew, W; Lee, D; Pham, P; Burdett, MT; Lam, JW; Wiesmann, C; Luong, TN; Fahr, B; DeLano, WL; McDowell, RS; Allen, DA; Erlanson, DA; Gordon, EM; O'Brien, T Identification of potent and selective small-molecule inhibitors of caspase-3 through the use of extended tethering and structure-based drug design.J Med Chem.45:5005-22(2002)[PubMed] |
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| More Info. |
Get all data from this article
, Inhibition_Run data
, Solution Info
, Assay Method
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| Caspase-6 |
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| Name | Caspase-6 |
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| Synonyms | Caspase-6 |
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| Type | Enzyme |
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| Mol. Mass. | 30937.43 |
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| Organism | Homo sapiens (human) |
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| Description | |
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| Residue | 270 |
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| Sequence | AFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGF
EVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLF
KGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAG
ADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDF
CKDPSAIGKKQVPCFASMLTKKLHFFPKSN
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| Thiophene Scaffold 66a |
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| Name | Inhibitor 66a |
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| Synonyms: | (S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thiophen-2-ylmethyl]sulfamoyl}-2-hydroxy-benzoic Acid | 5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}thiophen-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C17H16N2O9S2 |
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| Mol. Mass. | 456.447 |
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| SMILES | OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O |r| |
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| Structure | |
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| Caspase-6 Fluorometric Substrate Ac-Val-Glu-Ile-Asp-AFC |
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| Name | Caspase-6 Fluorometric Substrate Ac-Val-Glu-Ile-Asp-AFC |
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| Synonyms | Caspase-6 Fluorometric Substrate Ac-Val-Glu-Ile-Asp-AFC |
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| Type | Peptide |
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| Mol. Mass. | 474.51 |
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| Organism | n/a |
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| Description | Molecular Mass of VEID |
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| Residue | 4 |
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| Sequence | |
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