Structure of PDB 5myv Chain C Binding Site BS01

Receptor Information
>5myv Chain C (length=348) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YHPVKIGDLFNGRYHVIRKLGWGHFSTVWLCWDMQGKRFVAMKVVKSAQH
YTETALDEIKLLKCVRESDPSDPNKDMVVQLIDDFKISGMNGIHVCMVFE
VLGHHLLKWIIKSNYQGLPVRCVKSIIRQVLQGLDYLHSKCKIIHTDIKP
ENILMCVDDAYVRRMAAEATLLVNPLDPRNADKIRVKIADLGNACWVHKH
FTEDIQTRQYRSIEVLIGAGYSTPADIWSTACMAFELATGDYLFEPHSGE
DYSRDEDHIAHIIELLGSIPRHFALSGKYSREFFNRRGELRHITKLKPWS
LFDVLVEKYGWPHEDAAQFTDFLIPMLEMVPEKRASAGECLRHPWLNS
Ligand information
Ligand IDW4A
InChIInChI=1S/C18H20F3N3O2/c1-12-3-6-16(26-12)17(25)22-14-11-13(18(19,20)21)4-5-15(14)24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H,22,25)
InChIKeySTWLHUZLPCVTAS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1CCN(CC1)c2ccc(cc2NC(=O)c3oc(C)cc3)C(F)(F)F
OpenEye OEToolkits 2.0.6Cc1ccc(o1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)C(F)(F)F
FormulaC18 H20 F3 N3 O2
Name5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
ChEMBL
DrugBank
ZINCZINC000009616921
PDB chain5myv Chain C Residue 711 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5myv Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		L180 G181 Y239
Binding residue
(residue number reindexed from 1)		L102 G103 Y161
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D225
Catalytic site (residue number reindexed from 1) D147
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:5myv, PDBe:5myv, PDBj:5myv
PDBsum5myv
PubMed28135068
UniProtP78362|SRPK2_HUMAN SRSF protein kinase 2 (Gene Name=SRPK2)

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