Structure of PDB 8jmz Chain A Binding Site BS01

Receptor Information
>8jmz 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]
VSEYELPEDPRWELPRDRLVLGKPLGEGCFGQVVLAEAIGLDKDKPNRVT
KVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYV
IVEYASKGNLREYLQARRPPGLEYSYNPSHNPEEQLSSKDLVSCAYQVAR
GMEYLASKKCIHRDLAARNVLVTEDNVMKIADFGLARDIHHIDYYKKTTN
GRLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEEL
FKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVA
LTSNQE
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 chain8jmz Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8jmz Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R.
Resolution1.988 Å
Binding residue
(original residue number in PDB)		L484 V492 A512 K514 E531 V561 A564 G567 N568 E571 L630
Binding residue
(residue number reindexed from 1)		L25 V33 A53 K55 E72 V102 A105 G108 N109 E112 L171
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:0005007 fibroblast growth factor receptor activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8jmz, PDBe:8jmz, PDBj:8jmz
PDBsum8jmz
PubMed38172256
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

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