Structure of PDB 8iv3 Chain D Binding Site BS01

Receptor Information
>8iv3 Chain D (length=126) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNTASWFTALTQHGKEDLKFPRGQGVPINTNSSPDDQIGYYRRATRRIRD
GKMKDLSPRWYFYYLGTGPEAGLPYGANKDGIIWVATEGALNTPKDHIGT
RNPANNAAIVLQLPQGTTLPKGFYAE
Ligand information
Ligand IDDJU
InChIInChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
InChIKeyPOTVAILTNPOQJH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3
CACTVS 3.385CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
FormulaC18 H20 N2 O
NameN,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;
5-Benzyloxygramine
ChEMBLCHEMBL4451818
DrugBank
ZINCZINC000000057127
PDB chain8iv3 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8iv3 Targeting protein-protein interaction interfaces with anti-viral N protein inhibitor in SARS-CoV-2.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W53 N78 I147
Binding residue
(residue number reindexed from 1)		W6 N31 I98
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0019013 viral nucleocapsid

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Molecular Function
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Cellular Component
External links
PDB RCSB:8iv3, PDBe:8iv3, PDBj:8iv3
PDBsum8iv3
PubMed38234090
UniProtP0DTC9|NCAP_SARS2 Nucleoprotein (Gene Name=N)

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