Structure of PDB 8xlq Chain A Binding Site BS01

Receptor Information
>8xlq Chain A (length=296) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLPLDPLWEFPRDRLVLGKPLGEGCFGQVVRAEAFGMDPARPDQASTVAV
KMLKDNASDKDLADLVSEMEVMKLIGRHKNIINLLGVCTQEGPLYVIVEC
AAKGNLREFLRARRPPGPDLSPDGPRSSEGPLSFPVLVSCAYQVARGMQY
LESRKCIHRDLAARNVLVTEDNVMKIADFGGVHHIDYYKKTSNGRLPVKW
MAPEALFDEVYTHQSDVWSFGILLWEIFTLGGSPYPGIPVEELFSLLREG
HRMDRPPHCPPELYGLMRECWHAAPSQRPTFKQLVEALDKVLLAVS
Ligand information
Ligand IDA1LVQ
InChIInChI=1S/C34H33N7O5/c1-5-30(42)36-24-13-11-22(12-14-24)15-16-40-32-23(21-41(34(40)44)25-17-26(45-3)19-27(18-25)46-4)20-35-33(39-32)38-29-10-8-7-9-28(29)37-31(43)6-2/h5-14,17-20H,1-2,15-16,21H2,3-4H3,(H,36,42)(H,37,43)(H,35,38,39)
InChIKeyNOZQNRBLSPCZJQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cc(OC)cc(c1)N2Cc3cnc(Nc4ccccc4NC(=O)C=C)nc3N(CCc5ccc(NC(=O)C=C)cc5)C2=O
OpenEye OEToolkits 2.0.7COc1cc(cc(c1)OC)N2Cc3cnc(nc3N(C2=O)CCc4ccc(cc4)NC(=O)C=C)Nc5ccccc5NC(=O)C=C
FormulaC34 H33 N7 O5
NameCXF007;
~{N}-[4-[2-[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-7-[[2-(prop-2-enoylamino)phenyl]amino]-4~{H}-pyrimido[4,5-d]pyrimidin-1-yl]ethyl]phenyl]propanamide
ChEMBL
DrugBank
ZINC
PDB chain8xlq 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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PDB8xlq Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		L473 C477 R483 K503 E520 M524 I534 V550 C552 A553 G556 R616 N617 L619 A629 D630 F631
Binding residue
(residue number reindexed from 1)		L21 C25 R31 K51 E68 M72 I82 V98 C100 A101 G104 R164 N165 L167 A177 D178 F179
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8xlq, PDBe:8xlq, PDBj:8xlq
PDBsum8xlq
PubMed38432058
UniProtP22455|FGFR4_HUMAN Fibroblast growth factor receptor 4 (Gene Name=FGFR4)

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