Structure of PDB 8xz7 Chain A Binding Site BS01

Receptor Information
>8xz7 Chain A (length=299) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPAGVSEYELPEDPRWELPRDRLVLGKPLGEGCFGQVVLAEAIGLDKDKP
NRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDG
PLYVIVEYASKGNLREYLQARRPPGLEYSYNQLSSKDLVSCAYQVARGME
YLASKKCIHRDLAARNVLVTEDNVMKIADFGLAHIDYYKKTTNGRLPVKW
MAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEG
HRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSNQE
Ligand information
Ligand IDA1LWW
InChIInChI=1S/C24H19F2N7O2/c1-3-19(34)31-14-6-4-5-13(9-14)11-33-23(27)20(24(28)35)17(32-33)8-7-15-16(25)10-18-22(21(15)26)30-12(2)29-18/h3-6,9-10H,1,11,27H2,2H3,(H2,28,35)(H,29,30)(H,31,34)
InChIKeyGKKSEORWFYILJW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1[nH]c2c(n1)cc(c(c2F)C#Cc3c(c(n(n3)Cc4cccc(c4)NC(=O)C=C)N)C(=O)N)F
CACTVS 3.385Cc1[nH]c2c(F)c(C#Cc3nn(Cc4cccc(NC(=O)C=C)c4)c(N)c3C(N)=O)c(F)cc2n1
FormulaC24 H19 F2 N7 O2
Name5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain8xz7 Chain A Residue 803 [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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PDB8xz7 Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		L484 E486 C488 F489 A512 K514 E531 M535 Y563 A564 L630 D641 F642
Binding residue
(residue number reindexed from 1)		L29 E31 C33 F34 A57 K59 E76 M80 Y108 A109 L168 D179 F180
Annotation score1
External links
PDB RCSB:8xz7, PDBe:8xz7, PDBj:8xz7
PDBsum8xz7
PubMed38870833
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

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