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 T87109 Target Info
Target Name Casein kinase I delta (CSNK1D)
Synonyms Tau-protein kinase CSNK1D; HCKID; Casein kinase I isoform delta; CKId; CKI-delta
Target Type Preclinical Target
Gene Name CSNK1D
Biochemical Class Kinase
UniProt ID
KC1D_HUMAN
Ligand General Information  Top
Ligand Name PF-670462 free base Ligand Info
Canonical SMILES C1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F
InChI 1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)
InChIKey WUDBUIUHVNECTM-UHFFFAOYSA-N
PubChem Compound ID 11681588
Drug Binding Sites of Target  Top
PDB ID: 3UZP      crystal structure of ck1d with PF670462 from P21 crystal form
Method X-ray diffraction Resolution 1.94 Å Mutation No [1]
PDB Sequence
LRVGNRYRLG
12
RKIGSGSFGD
22
IYLGTDIAAG
32
EEVAIKLECV
42
KTKHPQLHIE
52

SKIYKMMQGG
62
VGIPTIRWCG
72
AEGDYNVMVM
82
ELLGPSLEDL
92
FNFCSRKFSL
102

KTVLLLADQM
112
ISRIEYIHSK
122
NFIHRDVKPD
132
NFLMGLGKKG
142
NLVYIIDFGL
152

AKKYRDARTH
162
QHIPYRENKN
172
LTGTARYASI
182
NTHLGIEQSR
192
RDDLESLGYV
202

LMYFNLGSLP
212
WQGLKAATKR
222
QKYERISEKK
232
MSTPIEVLCK
242
GYPSEFATYL
252

NFCRSLRFDD
262
KPDYSYLRQL
272
FRNLFHRQGF
282
SYDYVFDWNM
292
LK
Residue
Distance (Å)
ILE15
3.772
GLY16
4.161
SER17
3.774
GLY18
4.257
ILE23
3.560
ALA36
3.454
ILE37
4.257
LYS38
3.717
TYR56
3.702
ILE68
3.750
MET80
3.157
VAL81
4.319
Residue
Distance (Å)
MET82
3.428
GLU83
3.586
LEU84
3.637
LEU85
2.831
GLY86
4.149
SER88
4.280
ASP91
4.907
ASP132
4.065
LEU135
3.717
ILE148
3.455
ASP149
4.700
PDB ID: 3UYT      crystal structure of ck1d with PF670462 from P1 crystal form
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
VGNRYRLGRK
14
IGSGSFGDIY
24
LGTDIAAGEE
34
VAIKLECVKP
47
QLHIESKIYK
57

MMQGGVGIPT
67
IRWCGAEGDY
77
NVMVMELLGP
87
SLEDLFNFCS
97
RKFSLKTVLL
107

LADQMISRIE
117
YIHSKNFIHR
127
DVKPDNFLMG
137
LGKKGNLVYI
147
IDFGLAKKYR
157

DARTHQHIPY
167
RENKNLTGTA
177
RYASINTHLG
187
IEQSRRDDLE
197
SLGYVLMYFN
207

LGSLPWQGLK
217
AATKRQKYER
227
ISEKKMSTPI
237
EVLCKGYPSE
247
FATYLNFCRS
257

LRFDDKPDYS
267
YLRQLFRNLF
277
HRQGFSYDYV
287
FDWNMLK
Residue
Distance (Å)
ILE15
3.481
GLY16
4.224
SER17
3.909
GLY18
4.127
ILE23
3.260
ALA36
3.530
ILE37
4.284
LYS38
3.826
TYR56
3.574
ILE68
3.855
MET80
3.359
Residue
Distance (Å)
VAL81
3.925
MET82
3.315
GLU83
3.312
LEU84
3.639
LEU85
2.850
GLY86
4.343
SER88
4.315
ASP91
4.713
ASP132
4.074
LEU135
3.677
ILE148
3.523
References  Top
REF 1 Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor. J Med Chem. 2012 Jan 26;55(2):956-60.

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