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 | 6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-quinolinone | Ligand Info | |||
| Canonical SMILES | C1CC(=O)NC2=C1C=C(C=C2)C3=CC=C(C=C3)C(F)(F)F | ||||
| InChI | 1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21) | ||||
| InChIKey | WNVWLPPJRMIRBG-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 12000936 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6TA3 Human kinesin-5 motor domain in the GSK-1 state bound to microtubules (Conformation 1) | ||||||
| Method | Electron microscopy | Resolution | 3.80 Å | Mutation | No | [1] |
| PDB Sequence |
KGKNIQVVVR
24 CRPFNLAERK34 ASAHSIVECD44 PVRKEVSVRT54 GGLADKSSRK64 TYTFDMVFGA 74 STKQIDVYRS84 VVCPILDEVI94 MGYNCTIFAY104 GQTGTGKTFT114 MEGGIIPRTL 140 HQIFEKLTDN150 GTEFSVKVSL160 LEIYNEELFD170 LLNPSSDVSE180 RLQMFDDPRN 190 KRGVIIKGLE200 EITVHNKDEV210 YQILEKGAAK220 RTTAATLMNA230 YSSRSHSVFS 240 VTIHMKETEL255 VKIGKLNLVD265 LAGSENIGRS275 GAVDKRAREA285 GNINQSLLTL 295 GRVITALVER305 TPHVPYRESK315 LTRILQDSLG325 GRTRTSIIAT335 ISPASLNLEE 345 TLSTLEYAHR355 AKNILNKPEV365 NQKL
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| PDB ID: 6TIW Human kinesin-5 motor domain in the GSK state bound to microtubules (Conformation 2) | ||||||
| Method | Electron microscopy | Resolution | 3.80 Å | Mutation | No | [1] |
| PDB Sequence |
KGKNIQVVVR
24 CRPFNLAERK34 ASAHSIVECD44 PVRKEVSVRT54 GGLADKSSRK64 TYTFDMVFGA 74 STKQIDVYRS84 VVCPILDEVI94 MGYNCTIFAY104 GQTGTGKTFT114 MEGGIIPRTL 140 HQIFEKLTDN150 GTEFSVKVSL160 LEIYNEELFD170 LLNPSSDVSE180 RLQMFDDPRN 190 KRGVIIKGLE200 EITVHNKDEV210 YQILEKGAAK220 RTTAATLMNA230 YSSRSHSVFS 240 VTIHMKETEL255 VKIGKLNLVD265 LAGSENIGRS275 GAVDKRAREA285 GNINQSLLTL 295 GRVITALVER305 TPHVPYRESK315 LTRILQDSLG325 GRTRTSIIAT335 ISPASLNLEE 345 TLSTLEYAHR355 AKNILNKPEV365 NQKL
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy. Structure. 2020 Apr 7;28(4):450-457.e5. | ||||
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