Structure of PDB 4wua Chain A Binding Site BS01

Receptor Information
>4wua Chain A (length=344) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVKIGDLFNGRYHVIRKLGWGHFSTVWLSWDIQGKKFVAMKVVKSAEHYT
ETALDEIRLLKSVRNSDPNDPNREMVVQLLDDFKISGVNGTHICMVFEVL
GHHLLKWIIKSNYQGLPLPCVKKIIQQVLQGLDYLHTKCRIIHTDIKPEN
ILLSVNEQYIRRLAAEATVNPLEPKNAEKLKVKIADLGNACWVHKHFTED
IQTRQYRSLEVLIGSGYNTPADIWSTACMAFELATGDYLFEPHSGEEYTR
DEDHIALIIELLGKVPRKLIVAGKYSKEFFTKKGDLKHITKLKPWGLFEV
LVEKYEWSQEEAAGFTDFLLPMLELIPEKRATAAECLRHPWLNS
Ligand information
Ligand ID3UL
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25)
InChIKeyDWFGGOFPIISJIT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3
ACDLabs 12.01FC(F)(F)c1cc(c(cc1)N2CCCCC2)NC(=O)c3ccncc3
CACTVS 3.385FC(F)(F)c1ccc(N2CCCCC2)c(NC(=O)c3ccncc3)c1
FormulaC18 H18 F3 N3 O
NameN-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide
ChEMBLCHEMBL4064277
DrugBank
ZINCZINC000000150552
PDB chain4wua Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wua Identification of a Dual Inhibitor of SRPK1 and CK2 That Attenuates Pathological Angiogenesis of Macular Degeneration in Mice
Resolution2.0 Å
Binding residue
(original residue number in PDB)		L86 F165 V167 L168 G169 L220
Binding residue
(residue number reindexed from 1)		L18 F97 V99 L100 G101 L152
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D213
Catalytic site (residue number reindexed from 1) D145
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein 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:4wua, PDBe:4wua, PDBj:4wua
PDBsum4wua
PubMed25993998
UniProtQ96SB4|SRPK1_HUMAN SRSF protein kinase 1 (Gene Name=SRPK1)

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