Reaction Details |
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Target | Hexokinase-4 |
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Ligand | BDBM50447265 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1291251 (CHEMBL3117036) |
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IC50 | 56±n/a nM |
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Citation | St Jean, DJ; Ashton, KS; Bartberger, MD; Chen, J; Chmait, S; Cupples, R; Galbreath, E; Helmering, J; Hong, FT; Jordan, SR; Liu, L; Kunz, RK; Michelsen, K; Nishimura, N; Pennington, LD; Poon, SF; Reid, D; Sivits, G; Stec, MM; Tadesse, S; Tamayo, N; Van, G; Yang, KC; Zhang, J; Norman, MH; Fotsch, C; Lloyd, DJ; Hale, C Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles. J Med Chem57:325-38 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Hexokinase-4 |
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Name: | Hexokinase-4 |
Synonyms: | GCK | Glucokinase (GCK) | Glucokinase (GK) | Glucokinase/Glucokinase regulatory protein | HK IV | HK4 | HXK4_HUMAN | Hexokinase-4 | Hexokinase-D |
Type: | Enzyme |
Mol. Mass.: | 52175.81 |
Organism: | Homo sapiens (Human) |
Description: | P35557 |
Residue: | 465 |
Sequence: | MLDDRARMEAAKKEKVEQILAEFQLQEEDLKKVMRRMQKEMDRGLRLETHEEASVKMLPT
YVRSTPEGSEVGDFLSLDLGGTNFRVMLVKVGEGEEGQWSVKTKHQMYSIPEDAMTGTAE
MLFDYISECISDFLDKHQMKHKKLPLGFTFSFPVRHEDIDKGILLNWTKGFKASGAEGNN
VVGLLRDAIKRRGDFEMDVVAMVNDTVATMISCYYEDHQCEVGMIVGTGCNACYMEEMQN
VELVEGDEGRMCVNTEWGAFGDSGELDEFLLEYDRLVDESSANPGQQLYEKLIGGKYMGE
LVRLVLLRLVDENLLFHGEASEQLRTRGAFETRFVSQVESDTGDRKQIYNILSTLGLRPS
TTDCDIVRRACESVSTRAAHMCSAGLAGVINRMRESRSEDVMRITVGVDGSVYKLHPSFK
ERFHASVRRLTPSCEITFIESEEGSGRGAALVSAVACKKACMLGQ
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BDBM50447265 |
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n/a |
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Name | BDBM50447265 |
Synonyms: | CHEMBL3113991 |
Type | Small organic molecule |
Emp. Form. | C24H30F3N3O5S2 |
Mol. Mass. | 561.637 |
SMILES | C[C@](O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@H]2C[C@H](O)[C@@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,TLB:20:19:16:23.24.22,THB:15:16:18.19:23.24.22| |
Structure |
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