Structure of PDB 8w5c Chain B Binding Site BS01

Receptor Information
>8w5c Chain B (length=263) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLPLDPLWEFPRDRLVLGKPLGEGQVVRAEAFGMDPRPDQASTVAVKMLK
DDKDLADLVSEMEVMKLIGRHKNIINLLGVCTQEGPLYVIVECAAKGNLR
EFLRARRPPGPLSFPVLVSCAYQVARGMQYLESRKCIHRDLAARNVLVTE
DNVMKIADFGLLPVKWMAPEALFDRVYTHQSDVWSFGILLWEIFTLGGSP
YPGIPVEELFSLLREGHRMDRPPHCPPELYGLMRECWHAAPSQRPTFKQL
VEALDKVLLAVSE
Ligand information
Ligand IDVZO
InChIInChI=1S/C27H34N8O3/c1-18(2)35-16-21(27(37)32-25-12-22(29-5-10-38-4)20(13-28)14-30-25)26-24(35)11-19(23(17-36)31-26)15-34-8-6-33(3)7-9-34/h11-12,14,16-18H,5-10,15H2,1-4H3,(H2,29,30,32,37)
InChIKeyJOGBCZWNFGWQHB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)n1cc(c2c1cc(c(n2)C=O)CN3CCN(CC3)C)C(=O)Nc4cc(c(cn4)C#N)NCCOC
CACTVS 3.385COCCNc1cc(NC(=O)c2cn(C(C)C)c3cc(CN4CCN(C)CC4)c(C=O)nc23)ncc1C#N
FormulaC27 H34 N8 O3
NameN-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain8w5c 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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PDB8w5c Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L473 V481 K503 C552 A553 A554 L619 D630
Binding residue
(residue number reindexed from 1)		L21 V26 K47 C93 A94 A95 L147 D158
Annotation score1
External links
PDB RCSB:8w5c, PDBe:8w5c, PDBj:8w5c
PDBsum8w5c
PubMed38348819
UniProtP22455|FGFR4_HUMAN Fibroblast growth factor receptor 4 (Gene Name=FGFR4)

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