Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T60631 | Target Info | |||
| Target Name | Proto-oncogene c-Ret (RET) | ||||
| Synonyms | RET51; RET receptor tyrosine kinase; RET mutant Y791F; RET mutant V804M; RET mutant V804L; RET mutant S891A; RET mutant M918T; RET mutant G691S; Proto-oncogene tyrosine-protein kinase receptor Ret; PTC; Cadherin family member 12; CDHR16; CDHF12; C-ret | ||||
| Target Type | Successful Target | ||||
| Gene Name | RET | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 1-(tert-Butyl)-3-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Ligand Info | |||
| Canonical SMILES | CC1=CC=C(C=C1)C2=NN(C3=NC=NC(=C23)N)C(C)(C)C | ||||
| InChI | 1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19) | ||||
| InChIKey | ZVPDNRVYHLRXLX-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1400 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5FM3 Crystal structure of hyper-phosphorylated RET kinase domain with (proximal) juxtamembrane segment | ||||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [1] |
| PDB Sequence |
DAFKILEDPK
716 WEFPRKNLVL726 GKTLGEGEFG736 KVVKATAFHL746 KGRAGYTTVA756 VKMLKENASP 766 SELRDLLSEF776 NVLKQVNHPH786 VIKLYGACSQ796 DGPLLLIVEY806 AKGSLRGFLR 817 ESALTMGDLI852 SFAWQISQGM862 QYLAEMKLVH872 RDLAARNILV882 AEGRKMKISD 892 FGLSRDVYEE902 DSVKRQGRIP914 VKWMAIESLF924 DHITTQSDVW935 SFGVLLWEIV 945 TLGGNPYPGI955 PPERLFNLLK965 TGHRMERPDN975 CSEEMYRLML985 QCWKQEPDKR 995 PVFADISKDL1005 EKMMVK
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| PDB ID: 5FM2 Crystal structure of hyper-phosphorylated RET kinase domain with (proximal) juxtamembrane segment | ||||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [1] |
| PDB Sequence |
KILEDPKWEF
719 PRKNLVLGKT729 LGEGEFGKVV739 KATAFHLKGR749 AGYTTVAVKM759 LKENASPSEL 769 RDLLSEFNVL779 KQVNHPHVIK789 LYGACSQDGP799 LLLIVEYAKG810 SLRGFLRESA 845 LTMGDLISFA855 WQISQGMQYL865 AEMKLVHRDL875 AARNILVAEG885 RKMKISDFGL 895 SRDVYEEDSV906 KRQGRIPVKW917 MAIESLFDHI927 TTQSDVWSFG938 VLLWEIVTLG 948 GNPYPGIPPE958 RLFNLLKTGH968 RMERPDNCSE978 EMYRLMLQCW988 KQEPDKRPVF 998 ADISKDLEKM1008 MVK
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| PDB ID: 2IVV Crystal structure of phosphorylated RET tyrosine kinase domain complexed with the inhibitor PP1 | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [2] |
| PDB Sequence |
GPLSLSVDAF
709 KIKWEFPRKN723 LVLGKTLGEG733 EFGKVVKATA743 FHLKGRAGYT753 TVAVKMLKEN 763 ASPSELRDLL773 SEFNVLKQVN783 HPHVIKLYGA793 CSQDGPLLLI803 VEYAKYGSLR 813 GFLRESRLTM848 GDLISFAWQI858 SQGMQYLAEM868 SLVHRDLAAR878 NILVAEGRKM 888 KISDFGLSRD898 VYEEDSVKRS909 QGRIPVKWMA919 IESLFDHIYT929 TQSDVWSFGV 939 LLWEIVTLGG949 NPYPGIPPER959 LFNLLKTGHR969 MERPDNCSEE979 MYRLMLQCWK 989 QEPDKRPVFA999 DISKDLEKMM1009 VK
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LEU730
3.617
GLY731
3.799
VAL738
3.687
ALA756
3.174
VAL757
4.717
LYS758
3.624
GLU775
3.736
LEU779
4.009
ILE788
4.363
LEU802
4.255
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | RET Functions as a Dual-Specificity Kinase that Requires Allosteric Inputs from Juxtamembrane Elements. Cell Rep. 2016 Dec 20;17(12):3319-3332. | ||||
| REF 2 | Structure and chemical inhibition of the RET tyrosine kinase domain. J Biol Chem. 2006 Nov 3;281(44):33577-87. | ||||
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