Structure of PDB 7wcx Chain A Binding Site BS01

Receptor Information
>7wcx 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]
DLPLDPLWEFPRDRLVLGKPLGEGAFGQVVRAEAFGMDPARPDQASTVAV
KMLKDNASDKDLADLVSEMEVMKLIGRHKNIINLLGVCTQEGPLYVIMEC
AAKGNLREFLRARRPPGPDLSPDGPRSSEGPLSFPVLVSCAYQVARGMQY
LESRKCIHRDLAARNVLVTEDNVMKIADFGLARGVHHIDYYKKTSNGRLP
VKWMAPEALFDEVYTHQSDVWSFGILLWEIFTLGGSPYPGIPVEELFSLL
REGHRMDRPPHCPPELYGLMRECWHAAPSQRPTFKQLVEALDKVLLAVSE
Ligand information
Ligand ID90F
InChIInChI=1S/C32H36Cl2FN7O3/c1-3-29(43)37-28-15-21(41-8-6-20(7-9-41)42-10-12-44-13-11-42)14-26(35)31(28)38-32-23-16-22(4-5-27(23)39-40-32)45-19(2)30-24(33)17-36-18-25(30)34/h4-5,14-20H,3,6-13H2,1-2H3,(H,37,43)(H2,38,39,40)/t19-/m1/s1
InChIKeyDZCSXXJKTFXZJX-LJQANCHMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=O)Nc1cc(cc(c1Nc2c3cc(ccc3[nH]n2)OC(C)c4c(cncc4Cl)Cl)F)N5CCC(CC5)N6CCOCC6
CACTVS 3.385CCC(=O)Nc1cc(cc(F)c1Nc2n[nH]c3ccc(O[CH](C)c4c(Cl)cncc4Cl)cc23)N5CCC(CC5)N6CCOCC6
OpenEye OEToolkits 2.0.7CCC(=O)Nc1cc(cc(c1Nc2c3cc(ccc3[nH]n2)O[C@H](C)c4c(cncc4Cl)Cl)F)N5CCC(CC5)N6CCOCC6
CACTVS 3.385CCC(=O)Nc1cc(cc(F)c1Nc2n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)N5CCC(CC5)N6CCOCC6
FormulaC32 H36 Cl2 F N7 O3
Name~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide
ChEMBL
DrugBank
ZINC
PDB chain7wcx 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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PDB7wcx Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
Resolution2.175 Å
Binding residue
(original residue number in PDB)		L473 V481 R483 A501 E551 C552 A553 G556 N557 R616 L619
Binding residue
(residue number reindexed from 1)		L21 V29 R31 A49 E99 C100 A101 G104 N105 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:7wcx, PDBe:7wcx, PDBj:7wcx
PDBsum7wcx
PubMed35271262
UniProtP22455|FGFR4_HUMAN Fibroblast growth factor receptor 4 (Gene Name=FGFR4)

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