Structure of PDB 7yc3 Chain A Binding Site BS01

Receptor Information
>7yc3 Chain A (length=300) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLPLDPLWEFPRDRLVLGKPLGEGCFGQVVRAEAFGMDPARPDQASTVAV
KMLKDNASDKDLADLVSEMEVMKLIGRHKNIINLLGVCTQEGPLYVIVEC
AAKGNLREFLRARRPPGPDLSPDGPRSSEGPLSFPVLVSCAYQVARGMQY
LESRKCIHRDLAARNVLVTEDNVMKIADFGLARGVHHIDYYKKTSNGRLP
VKWMAPEALFDEVYTHQSDVWSFGILLWEIFTLGGSPYPGIPVEELFSLL
REGHRMDRPPHCPPELYGLMRECWHAAPSQRPTFKQLVEALDKVLLAVSE
Ligand information
Ligand IDIIW
InChIInChI=1S/C24H26BrN7O4/c1-35-7-2-27-19-11-22(28-13-16(19)12-26)30-24(34)17-14-32(4-3-31-5-8-36-9-6-31)21-10-18(25)20(15-33)29-23(17)21/h10-11,13-15H,2-9H2,1H3,(H2,27,28,30,34)
InChIKeyFNGUXMMZSCMHDU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COCCNc1cc(ncc1C#N)NC(=O)c2cn(c3c2nc(c(c3)Br)C=O)CCN4CCOCC4
CACTVS 3.385COCCNc1cc(NC(=O)c2cn(CCN3CCOCC3)c4cc(Br)c(C=O)nc24)ncc1C#N
FormulaC24 H26 Br N7 O4
Name6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
ChEMBLCHEMBL5220620
DrugBank
ZINC
PDB chain7yc3 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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PDB7yc3 Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
Resolution1.987 Å
Binding residue
(original residue number in PDB)		L473 R483 V550 C552 A553 A554 G556 R616 L619
Binding residue
(residue number reindexed from 1)		L21 R31 V98 C100 A101 A102 G104 R164 L167
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:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:7yc3, PDBe:7yc3, PDBj:7yc3
PDBsum7yc3
PubMed36278929
UniProtP22455|FGFR4_HUMAN Fibroblast growth factor receptor 4 (Gene Name=FGFR4)

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