Structure of PDB 8yki Chain B Binding Site BS01

Receptor Information
>8yki Chain B (length=266) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSSEYELPEDPRWELPRDRLVLGKPLGEGAFGQVVLAEAIGLDKPNRVTK
VAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVI
VEYASKGNLREYLQARLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARN
VLVTEDNVMKIADFGLLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFT
LGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRP
TFKQLVEDLDRIVALT
Ligand information
Ligand IDA1LY1
InChIInChI=1S/C32H37N5O6/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39)
InChIKeyIBHOLSBDZMIPPT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(cc4)C5CCN(CCO)CC5)c3)c(OCCOC)cc12
OpenEye OEToolkits 2.0.7CNC(=O)n1ccc2c1cc(c(c2)Oc3ccnc(c3)NC(=O)c4ccc(cc4)C5CCN(CC5)CCO)OCCOC
FormulaC32 H37 N5 O6
NameTasurgratinib;
E-7090
ChEMBL
DrugBank
ZINC
PDB chain8yki Chain B Residue 801 [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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PDB8yki Antitumor Activity of Tasurgratinib as an Orally Available FGFR1-3 Inhibitor in Cholangiocarcinoma Models With FGFR2-fusion.
Resolution2.79 Å
Binding residue
(original residue number in PDB)		V492 A512 K514 E531 V561 A564 L630 D641 F642
Binding residue
(residue number reindexed from 1)		V34 A52 K54 E71 V101 A104 L152 D163 F164
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
External links
PDB RCSB:8yki, PDBe:8yki, PDBj:8yki
PDBsum8yki
PubMed38821585
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

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