Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T50594 | Target Info | |||
| Target Name | Serine/threonine-protein kinase pim-1 (PIM1) | ||||
| Synonyms | Pim-1 proto-oncogene, serine/threonine kinase; PIM | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PIM1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-{4-[(3-Aminopropyl)amino]quinazolin-2-Yl}phenol | Ligand Info | |||
| Canonical SMILES | C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3O)NCCCN | ||||
| InChI | 1S/C17H18N4O/c18-10-5-11-19-16-12-6-1-3-8-14(12)20-17(21-16)13-7-2-4-9-15(13)22/h1-4,6-9,22H,5,10-11,18H2,(H,19,20,21) | ||||
| InChIKey | VIQWLKJTZBWAFF-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1977218 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3UIX Crystal structure of Pim1 kinase in complex with small molecule inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
QYQVGPLLGS
46 GGFGSVYSGI56 RVSDNLPVAI66 KHVEKDRISD76 WGELTRVPME89 VVLLKKVSSG 99 FSGVIRLLDW109 FERPDSFVLI119 LERPEPVQDL129 FDFITERGAL139 QEELARSFFW 149 QVLEAVRHCH159 NCGVLHRDIK169 DENILIDLNR179 GELKLIDFGS189 GALLKDTVYT 199 DFDGTRVYSP209 PEWIRYHRYH219 GRSAAVWSLG229 ILLYDMVCGD239 IPFEHDEEII 249 RGQVFFRQRV259 SSECQHLIRW269 CLALRPSDRP279 TFEEIQNHPW289 MQDVLLPQET 299 AEIHLH
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| PDB ID: 4LM5 Crystal structure of Pim1 in complex with 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol (resulting from displacement of SKF86002) | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [2] |
| PDB Sequence |
ESQYQVGPLL
44 GSGGFGSVYS54 GIRVSDNLPV64 AIKHVEKDRI74 SDWGEVPMEV90 VLLKKVSSGF 100 SGVIRLLDWF110 ERPDSFVLIL120 ERPEPVQDLF130 DFITERGALQ140 EELARSFFWQ 150 VLEAVRHCHN160 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA191 LLKDTVYTDF 201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP241 FEHDEEIIRG 251 QVFFRQRVSS261 ECQHLIRWCL271 ALRPSDRPTF281 EEIQNHPWMQ291 DVLLPQETAE 301 IHLH
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A novel Pim-1 kinase inhibitor targeting residues that bind the substrate peptide. J Mol Biol. 2012 Mar 30;417(3):240-52. | ||||
| REF 2 | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr D Biol Crystallogr. 2014 Feb;70(Pt 2):392-404. | ||||
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