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 T20333 Target Info
Target Name Macrophage colony-stimulating factor 1 receptor (CSF1R)
Synonyms Proto-oncogene c-Fms; M-CSF-R; FMS; CSF-1R; CSF-1-R; CSF-1 receptor; CD115
Target Type Successful Target
Gene Name CSF1R
Biochemical Class Kinase
UniProt ID
CSF1R_HUMAN
Ligand General Information  Top
Ligand Name 5-Cyano-Furan-2-Carboxylic Acid [5-Hydroxymethyl-2-(4-Methyl-Piperidin-1-Yl)-Phenyl]-Amide Ligand Info
Canonical SMILES CC1CCN(CC1)C2=C(C=C(C=C2)CO)NC(=O)C3=CC=C(O3)C#N
InChI 1S/C19H21N3O3/c1-13-6-8-22(9-7-13)17-4-2-14(12-23)10-16(17)21-19(24)18-5-3-15(11-20)25-18/h2-5,10,13,23H,6-9,12H2,1H3,(H,21,24)
InChIKey NNPCFFIJVKYGHR-UHFFFAOYSA-N
PubChem Compound ID 9884318
Drug Binding Sites of Target  Top
PDB ID: 2I0Y      cFMS tyrosine kinase (FGF KID) in complex with an arylamide inhibitor
Method X-ray diffraction Resolution 1.90 Å Mutation No [1]
PDB Sequence
VRWKIIESYE
557
SYTFIEKWEF
577
PRNNLQFGKT
587
LGAGAFGKVV
597
EATAFGLGKE
607

DAVLKVAVKM
617
LKSTAHADEK
627
EALMSELKIM
637
SHLGQHENIV
647
NLLGACTHGG
657

PVLVITEYCC
667
YGDLLNFLRR
677
KRQLSSRDLL
756
HFSSQVAQGM
766
AFLASKNCIH
776

RDVAARNVLL
786
TNGHVAKIGD
796
FGLARDIMND
806
SNYIVKGARL
817
PVKWMAPESI
827

FDCVYTVQSD
837
VWSYGILLWE
847
IFSLGLNPYP
857
GILVNSKFYK
867
LVKDGYQMAQ
877

PAFAPKNIYS
887
IMQACWALEP
897
THRPTFQQIC
907
SFLQEQAQE
Residue
Distance (Å)
LYS586
4.395
LEU588
3.430
GLY589
3.888
VAL596
3.825
ALA614
3.369
LYS616
3.575
VAL647
3.915
THR663
3.257
GLU664
3.415
TYR665
3.018
Residue
Distance (Å)
CYS666
2.934
CYS667
3.618
TYR668
4.460
GLY669
3.597
ASP670
4.985
LEU785
3.523
ASP796
4.153
PHE797
3.547
ALA800
3.579
ARG801
3.689
PDB ID: 2I1M      cFMS tyrosine kinase (tie2 KID) in complex with an arylamide inhibitor
Method X-ray diffraction Resolution 1.80 Å Mutation No [1]
PDB Sequence
QVRWKIIESY
556
NSYTFIDPTQ
568
LPYNEKWEFP
578
RNNLQFGKTL
588
GAGAFGKVVE
598

ATAFGLGKED
608
AVLKVAVKML
618
KSTAHADEKE
628
ALMSELKIMS
638
HLGQHENIVN
648

LLGACTHGGP
658
VLVITEYCCY
668
GDLLNFLRRK
678
SRVLETDSTA
697
STRDLLHFSS
760

QVAQGMAFLA
770
SKNCIHRDVA
780
ARNVLLTNGH
790
VAKIGDFGLA
800
RDIMNDSNYI
810

VKGNARLPVK
820
WMAPESIFDC
830
VYTVQSDVWS
840
YGILLWEIFS
850
LGLNPYPGIL
860

VNSKFYKLVK
870
DGYQMAQPAF
880
APKNIYSIMQ
890
ACWALEPTHR
900
PTFQQICSFL
910

QEQAQEDRRE
920
R
Residue
Distance (Å)
LYS586
4.876
LEU588
3.125
GLY589
3.647
ALA590
4.984
VAL596
3.684
ALA614
3.473
LYS616
3.770
VAL647
3.842
THR663
3.295
GLU664
3.382
TYR665
2.775
Residue
Distance (Å)
CYS666
2.858
CYS667
3.569
TYR668
4.177
GLY669
3.393
ASP670
4.769
LEU785
3.443
ASP796
4.269
PHE797
3.516
ALA800
3.672
ARG801
4.006
References  Top
REF 1 Crystal structure of the tyrosine kinase domain of colony-stimulating factor-1 receptor (cFMS) in complex with two inhibitors. J Biol Chem. 2007 Feb 9;282(6):4094-101.

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