Structure of PDB 8t5v Chain A Binding Site BS03

Receptor Information
>8t5v Chain A (length=178) Species: 641501 (Influenza A virus (A/California/04/2009(H1N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFVAICTHLEVCFMY
SDFGRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIEI
GVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESRAR
IKTRLFTIRQEMASRSLWDSFRQSERGE
Ligand information
Ligand IDE4Z
InChIInChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1
InChIKeyFIDLLEYNNRGVFR-CTNGQTDRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(c3ccc(c(c3CS2)F)F)N4C5COCCN5C(=O)C6=C(C(=O)C=CN64)O
CACTVS 3.385OC1=C2N(C=CC1=O)N([C@@H]3COCCN3C2=O)[C@H]4c5ccc(F)c(F)c5CSc6ccccc46
OpenEye OEToolkits 2.0.6c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O
CACTVS 3.385OC1=C2N(C=CC1=O)N([CH]3COCCN3C2=O)[CH]4c5ccc(F)c(F)c5CSc6ccccc46
FormulaC24 H19 F2 N3 O4 S
NameBaloxavir acid
ChEMBLCHEMBL4297215
DrugBankDB15675
ZINC
PDB chain8t5v Chain A Residue 303 [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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PDB8t5v Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		Y24 E26 K34 A37 I38 H41 E80 D108 E119 K134
Binding residue
(residue number reindexed from 1)		Y26 E28 K36 A39 I40 H43 E60 D88 E99 K114
Annotation score1
External links