Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T87166 | Target Info | |||
| Target Name | Glucokinase (GCK) | ||||
| Synonyms | Hexokinase type IV; Hexokinase D; HK4; HK IV | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GCK | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | PF-04937319 | Ligand Info | |||
| Canonical SMILES | CC1=CC2=C(O1)C=C(C=C2OC3=CN=C(N=C3)C(=O)N(C)C)C(=O)NC4=NC=C(N=C4)C | ||||
| InChI | 1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29) | ||||
| InChIKey | MASKQITXHVYVFL-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 46916694 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3S41 Glucokinase in complex with activator and glucose | ||||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [1] |
| PDB Sequence |
ENLYFQGMKK
13 EKVEQILAEF23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR 63 STPEGSEVGD73 FLSLDLGGTN83 FRVMLVKVGS100 VKTKHQMYSI110 PEDAMTGTAE 120 MLFDYISECI130 SDFLDKHQMK140 HKKLPLGFTF150 SFPVRHEDID160 KGILLNWTKG 170 FKASGAEGNN180 VVGLLRDAIK190 RRGDFEMDVV200 AMVNDTVATM210 ISCYYEDHQC 220 EVGMIVGTGC230 NACYMEEMQN240 VELVEGDEGR250 MCVNTEWGAF260 GDSGELDEFL 270 LEYDRLVDES280 SANPGQQLYE290 KLIGGKYMGE300 LVRLVLLRLV310 DENLLFHGEA 320 SEQLRTRGAF330 ETRFVSQVES340 DTGDRKQIYN350 ILSTLGLRPS360 TTDCDIVRRA 370 CESVSTRAAH380 MCSAGLAGVI390 NRMRESRSED400 VMRITVGVDG410 SVYKLHPSFK 420 ERFHASVRRL430 TPSCEITFIE440 SEEGSGRGAA450 LVSAVACK
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| PDB ID: 4DHY Crystal structure of human glucokinase in complex with glucose and activator | ||||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [2] |
| PDB Sequence |
ENLYFQGMKK
13 EKVEQILAEF23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR 63 STPEGSEVGD73 FLSLDLGGTN83 FRVMLVKVGS100 VKTKHQMYSI110 PEDAMTGTAE 120 MLFDYISECI130 SDFLDKHQMK140 HKKLPLGFTF150 SFPVRHEDID160 KGILLNWTKG 170 FKASGAEGNN180 VVGLLRDAIK190 RRGDFEMDVV200 AMVNDTVATM210 ISCYYEDHQC 220 EVGMIVGTGC230 NACYMEEMQN240 VELVEGDEGR250 MCVNTEWGAF260 GDSGELDEFL 270 LEYDRLVDES280 SANPGQQLYE290 KLIGGKYMGE300 LVRLVLLRLV310 DENLLFHGEA 320 SEQLRTRGAF330 ETRFVSQVES340 DTGDRKQIYN350 ILSTLGLRPS360 TTDCDIVRRA 370 CESVSTRAAH380 MCSAGLAGVI390 NRMRESRSED400 VMRITVGVDG410 SVYKLHPSFK 420 ERFHASVRRL430 TPSCEITFIE440 SEEGSGRGAA450 LVSAVACK
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus. doi:10.1039/C1MD00116G. | ||||
| REF 2 | Insights into mechanism of glucokinase activation: observation of multiple distinct protein conformations. J Biol Chem. 2012 Apr 20;287(17):13598-610. | ||||
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