Structure of PDB 8jot Chain A Binding Site BS01

Receptor Information
>8jot Chain A (length=306) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPKYQVRWKIIESYTFIDPTQLPYNEKWEFPRNNLQFGKTLGAGAFGKVV
EATAFGLGKEDAVLKVAVKMLKSTAHADEKEALMSELKIMSHLGQHENIV
NLLGACTHGGPVLVITEYCTYGDLLNFLRRKAEAMLGPSGRPLELRDLLH
FSSQVAQGMAFLASKNCIHRDVAARNVLLTNGHVAKIGDFGLARDIMNDS
NYIVKGARLPVKWMAPESIFDSVYTVQSDVWSYGILLWEIFSLGLNPYPG
ILVNSKFYKLVKDGYQMAQPAFAPKNIYSIMQACWALEPTHRPTFQQITS
FLQEQA
Ligand information
Ligand IDUKI
InChIInChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)
InChIKeyTTZSNFLLYPYKIL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)CCN[S](=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1
OpenEye OEToolkits 2.0.7Cc1cc2cc(ccc2[nH]1)Oc3ccnc(n3)Nc4cccc(c4)CS(=O)(=O)NCCN(C)C
FormulaC24 H28 N6 O3 S
NameN-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide;
Sulfatinib
ChEMBL
DrugBank
ZINC
PDB chain8jot Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8jot Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R.
Resolution1.69 Å
Binding residue
(original residue number in PDB)		L588 A614 Y665 C666 T667 Y668 G669 D670 L785 F797 A800
Binding residue
(residue number reindexed from 1)		L41 A67 Y118 C119 T120 Y121 G122 D123 L178 F190 A193
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0004714 transmembrane receptor protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0007169 cell surface receptor protein tyrosine kinase signaling pathway

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:8jot, PDBe:8jot, PDBj:8jot
PDBsum8jot
PubMed38172256
UniProtP07333|CSF1R_HUMAN Macrophage colony-stimulating factor 1 receptor (Gene Name=CSF1R)

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