Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
KIF11_HUMAN
Ligand General Information  Top
Ligand Name ARRY-520 Ligand Info
Canonical SMILES CN(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC
InChI 1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1
InChIKey LLXISKGBWFTGEI-FQEVSTJZSA-N
PubChem Compound ID 44224257
Drug Binding Sites of Target  Top
PDB ID: 6HKY      Eg5-inhibitor complex
Method X-ray diffraction Resolution 2.75 Å Mutation No [1]
PDB Sequence
GKNIQVVVRC
25
RPFNLAERKA
35
SAHSIVECDP
45
VRKEVSVRTG
55
GLADKSSRKT
65

YTFDMVFGAS
75
TKQIDVYRSV
85
VCPILDEVIM
95
GYNCTIFAYG
105
QTGTGKTFTM
115

EGERSPNEEY
125
TWEEDPLAGI
135
IPRTLHQIFE
145
KLTDNGTEFS
155
VKVSLLEIYN
165

EELFDLLNPS
175
SDVSERLQMF
185
DDPRNKRGVI
195
IKGLEEITVH
205
NKDEVYQILE
215

KGAAKRTTAA
225
TLMNAYSSRS
235
HSVFSVTIHM
245
KEELVKIGKL
261
NLVDLAGSEN
271

NINQSLLTLG
296
RVITALVERT
306
PHVPYRESKL
316
TRILQDSLGG
326
RTRTSIIATI
336

SPASLNLEET
346
LSTLEYAHRA
356
KNILNKPE
Residue
Distance (Å)
THR112
4.208
MET115
4.686
GLU116
3.080
GLY117
2.840
GLU118
2.923
ARG119
3.147
TRP127
4.199
ASP130
4.619
LEU132
4.836
ALA133
3.473
Residue
Distance (Å)
ILE136
3.333
PRO137
3.890
LEU160
3.868
TYR211
2.903
LEU214
3.534
GLU215
3.629
GLY217
3.364
ALA218
3.368
ARG221
3.569
PHE239
4.316
PDB ID: 6HKX      Eg5-inhibitor complex
Method X-ray diffraction Resolution 2.80 Å Mutation No [1]
PDB Sequence
KNIQVVVRCR
26
PFNHSIVECD
44
PVRKEVSVRT
54
GGLADKSSRK
64
TYTFDMVFGA
74

STKQIDVYRS
84
VVCPILDEVI
94
MGYNCTIFAY
104
GQTGTGKTFT
114
MEGERSPNEE
124

YTWEEDPLAG
134
IIPRTLHQIF
144
EKLTDNGTEF
154
SVKVSLLEIY
164
NEELFDLLNP
174

SSDVSERLQM
184
FDDPRNKRGV
194
IIKGLEEITV
204
HNKDEVYQIL
214
EKGAAKRTTA
224

ATLMNAYSSR
234
SHSVFSVTIH
244
MKETTLVKIG
259
KLNLVDLAGS
269
ENNINQSLLT
294

LGRVITALVE
304
RTPHVPYRES
314
KLTRILQDSL
324
GGRTRTSIIA
334
TISPASLNLE
344

ETLSTLEYAH
354
RAKNILNKPE
364
Residue
Distance (Å)
THR112
4.121
MET115
4.844
GLU116
3.102
GLY117
3.246
GLU118
3.437
ARG119
3.479
TRP127
3.883
ASP130
4.946
ALA133
3.871
ILE136
3.418
Residue
Distance (Å)
PRO137
3.575
LEU160
3.587
TYR211
2.786
LEU214
3.584
GLU215
3.697
GLY217
3.042
ALA218
2.973
ARG221
3.412
PHE239
4.036
References  Top
REF 1 Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5-Inhibitor Complexes. Mol Cancer Ther. 2019 Dec;18(12):2394-2406.

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