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 T62431 Target Info
Target Name Tyrosine-protein kinase SYK (SYK)
Synonyms p72-Syk; Spleen tyrosine kinase
Target Type Successful Target
Gene Name SYK
Biochemical Class Kinase
UniProt ID
KSYK_HUMAN
Ligand General Information  Top
Ligand Name 6-Chloro-2-(2-Fluoro-4,5-Dimethoxyphenyl)-N-(Piperidin-4-Ylmethyl)-3h-Imidazo[4,5-B]pyridin-7-Amine Ligand Info
Canonical SMILES COC1=C(C=C(C(=C1)C2=NC3=NC=C(C(=C3N2)NCC4CCNCC4)Cl)F)OC
InChI 1S/C20H23ClFN5O2/c1-28-15-7-12(14(22)8-16(15)29-2)19-26-18-17(13(21)10-25-20(18)27-19)24-9-11-3-5-23-6-4-11/h7-8,10-11,23H,3-6,9H2,1-2H3,(H2,24,25,26,27)
InChIKey IRGAIDAWHGYOKD-UHFFFAOYSA-N
PubChem Compound ID 92045136
Drug Binding Sites of Target  Top
PDB ID: 6ZCR      SYK Kinase domain in complex with azabenzimidazole inhibitor 7
Method X-ray diffraction Resolution 1.73 Å Mutation No [1]
PDB Sequence
VYLDRKLLTL
372
EDKELGSGNF
382
GTVKKGYYQM
392
KKVVKTVAVK
402
ILKPALKDEL
417

LAEANVMQQL
427
DNPYIVRMIG
437
ICEAESWMLV
447
MEMAELGPLN
457
KYLQQNRHVK
467

DKNIIELVHQ
477
VSMGMKYLEE
487
SNFVHRDLAA
497
RNVLLVTQHY
507
AKISDFGLSK
517

ALRADENYYK
527
AQWPVKWYAP
541
ECINYYKFSS
551
KSDVWSFGVL
561
MWEAFSYGQK
571

PYRGMKGSEV
581
TAMLEKGERM
591
GCPAGCPREM
601
YDLMNLCWTY
611
DVENRPGFAA
621

VELRLRNYYY
631
DVVNH
Residue
Distance (Å)
LEU377
3.072
GLY378
4.719
VAL385
3.682
ALA400
3.172
VAL433
4.164
MET448
3.573
GLU449
3.430
MET450
3.726
ALA451
2.789
GLU452
3.109
Residue
Distance (Å)
LEU453
4.099
GLY454
3.309
PRO455
3.470
LYS458
3.129
ARG498
2.859
ASN499
3.116
LEU501
3.489
SER511
3.297
ASP512
4.625
PDB ID: 6ZCU      syk in complex with 57262_SYKB-AZ13344324-2
Method X-ray diffraction Resolution 1.73 Å Mutation No [2]
PDB Sequence
VYLDRKLLTL
372
EDKELGSGNF
382
GTVKKGYYQM
392
KKVVKTVAVK
402
ILKPALKDEL
417

LAEANVMQQL
427
DNPYIVRMIG
437
ICEAESWMLV
447
MEMAELGPLN
457
KYLQQNRHVK
467

DKNIIELVHQ
477
VSMGMKYLEE
487
SNFVHRDLAA
497
RNVLLVTQHY
507
AKISDFGLSK
517

ALRADENYYK
527
AQWPVKWYAP
541
ECINYYKFSS
551
KSDVWSFGVL
561
MWEAFSYGQK
571

PYRGMKGSEV
581
TAMLEKGERM
591
GCPAGCPREM
601
YDLMNLCWTY
611
DVENRPGFAA
621

VELRLRNYYY
631
DVVNH
Residue
Distance (Å)
LEU377
3.072
GLY378
4.719
VAL385
3.682
ALA400
3.172
VAL433
4.164
MET448
3.573
GLU449
3.430
MET450
3.726
ALA451
2.789
GLU452
3.109
Residue
Distance (Å)
LEU453
4.099
GLY454
3.309
PRO455
3.470
LYS458
3.129
ARG498
2.859
ASN499
3.116
LEU501
3.489
SER511
3.297
ASP512
4.625
References  Top
REF 1 SYK Kinase domain in complex with azabenzimidazole inhibitor 7
REF 2 SYK Kinase domain in complex with azabenzimidazole inhibitor 2b

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