Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T28484 | Target Info | |||
| Target Name | Kinesin-like protein KIF11 (KIF11) | ||||
| Synonyms | Thyroid receptor interacting protein 5; TRIP5; Kinesin-related motor protein Eg5; Kinesin-like spindle protein HKSP; Kinesin-like protein 1; KIF11; Eg5 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | KIF11 | ||||
| Biochemical Class | Kinesin-like protein family | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide | Ligand Info | |||
| Canonical SMILES | CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C | ||||
| InChI | 1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)/t13-/m0/s1 | ||||
| InChIKey | JEFVYQYZCAVNTP-ZDUSSCGKSA-N | ||||
| PubChem Compound ID | 686905 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6G6Y Eg5-inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGS61 SRKTYTFDMV71 FGASTKQIDV 81 YRSVVCPILD91 EVIMGYNCTI101 FAYGQTGTGK111 TFTMEGERSP121 NEEYTWEEDP 131 LAGIIPRTLH141 QIFEKLTDNG151 TEFSVKVSLL161 EIYNEELFDL171 LNPSERLQMF 185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA225 TLMNAYSSRS 235 HSVFSVTIHM245 KETELVKIGK260 LNLVDLAGSE270 NNINQSLLTL295 GRVITALVER 305 TPHVPYRESK315 LTRILQDSLG325 GRTRTSIIAT335 ISPASLNLEE345 TLSTLEYAHR 355 AKNILNKPE
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| PDB ID: 6G6Z Eg5-inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [1] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERSA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENINQSLL 293 TLGRVITALV303 ERTPHVPYRE313 SKLTRILQDS323 LGGRTRTSII333 ATISPASLNL 343 EETLSTLEYA353 HRAKNILNKP363 EVN
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors. Eur J Med Chem. 2018 Aug 5;156:641-651. | ||||
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