Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T17919 | Target Info | |||
| Target Name | RET V804M mutant (RET V804M) | ||||
| Synonyms | RET51 V804M mutant; Proto-oncogene tyrosine-protein kinase receptor Ret V804M mutant; Proto-oncogene c-Ret V804M mutant; PTC V804M mutant; Cadherin family member 12 V804M mutant; CDHR16 V804M mutant; CDHF12 V804M mutant | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | RET | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonotyrosine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | ||||
| InChIKey | DCWXELXMIBXGTH-QMMMGPOBSA-N | ||||
| PubChem Compound ID | 30819 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6I83 Crystal structure of phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018366 | ||||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | Yes | [1] |
| PDB Sequence |
GPLSLSVDAF
709 KILEDPKWEF719 PRKNLVLGKT729 LGEGEFGKVV739 KATAFHLKGR749 AGYTTVAVKM 759 LKENASPSEL769 RDLLSEFNVL779 KQVNHPHVIK789 LYGACSQDGP799 LLLIMEYAKY 809 GSLRGFLRES819 RKRALTMGDL851 ISFAWQISQG861 MQYLAEMKLV871 HRDLAARNIL 881 VAEGRKMKIS891 DFGLSRDVYE901 EDSVKRSQGR912 IPVKWMAIES922 LFDHIYTTQS 932 DVWSFGVLLW942 EIVTLGGNPY952 PGIPPERLFN962 LLKTGHRMER972 PDNCSEEMYR 982 LMLQCWKQEP992 DKRPVFADIS1002 KDLEKMMVKR1012 R
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| PDB ID: 6I82 Crystal structure of partially phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018412 | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [1] |
| PDB Sequence |
GPLSLSVDAF
709 KILEDPKWEF719 PRKNLVLGKT729 LGEGEFGKVV739 KATAFHLKGR749 AGYTTVAVKM 759 LKENASPSEL769 RDLLSEFNVL779 KQVNHPHVIK789 LYGACSQDGP799 LLLIMEYAKY 809 GSLRGFLRES819 ERALTMGDLI852 SFAWQISQGM862 QYLAEMKLVH872 RDLAARNILV 882 AEGRKMKISD892 FGLSRDVYQG911 RIPVKWMAIE921 SLFDHITTQS932 DVWSFGVLLW 942 EIVTLGGNPY952 PGIPPERLFN962 LLKTGHRMER972 PDNCSEEMYR982 LMLQCWKQEP 992 DKRPVFADIS1002 KDLEKMMVKR1012
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RET(V804M) Kinase. ACS Med Chem Lett. 2020 Feb 28;11(4):497-505. | ||||
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