| Reaction Details |
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 | Report a problem with these data |
| Target | Cathepsin K |
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| Ligand | BDBM19843 |
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| Substrate/Competitor | BDBM19480 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| pH | 5.5±n/a |
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| Temperature | 295.15±n/a K |
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| IC50 | 5.0±n/a nM |
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| Citation |  Crane, SN; Black, WC; Palmer, JT; Davis, DE; Setti, E; Robichaud, J; Paquet, J; Oballa, RM; Bayly, CI; McKay, DJ; Somoza, JR; Chauret, N; Seto, C; Scheigetz, J; Wesolowski, G; Massé, F; Desmarais, S; Ouellet, M Beta-substituted cyclohexanecarboxamide: a nonpeptidic framework for the design of potent inhibitors of cathepsin K. J Med Chem49:1066-79 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Cathepsin K |
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| Name: | Cathepsin K |
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| Synonyms: | CATK_RABIT | CTSK |
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| Type: | Enzyme |
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| Mol. Mass.: | 36879.51 |
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| Organism: | Oryctolagus cuniculus (rabbit) |
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| Description: | n/a |
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| Residue: | 329 |
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| Sequence: | MWGLKVLLLPVVSFALHPEEILDTQWELWKKTYSKQYNSKVDEISRRLIWEKNLKHISIH
NLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPPSRSHSNDTLYIPDWEGRTPDSID
YRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENYGCGGG
YMTNAFQYVQRNRGIDSEDAYPYVGQDESCMYNPTGKAAKCRGYREIPEGNEKALKRAVA
RVGPVSVAIDASLTSFQFYSKGVYYDENCSSDNVNHAVLAVGYGIQKGNKHWIIKNSWGE
SWGNKGYILMARNKNNACGIANLASFPKM
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| BDBM19843 |
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| BDBM19480 |
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| Name | BDBM19843 |
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| Synonyms: | (1R,2R)-N-(cyanomethyl)-2-({[4-(methylsulfanyl)benzene]sulfonyl}methyl)cyclohexane-1-carboxamide | Cyclohexanecarboxamide derivative, 13b | racemic mixture |
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| Type | Small organic molecule |
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| Emp. Form. | C17H22N2O3S2 |
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| Mol. Mass. | 366.498 |
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| SMILES | CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| |
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| Structure | 
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