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Receptor Information

>7m0n Chain D (length=183) Species: 657776 (Influenza A virus (A/ruddy turnstone/New Jersey/Sg-00524/2008(H4N6))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMYSD
GGSKHRFEIIEGRDRTMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIE
IGVTRREVHTYYLEKANKIKSEETHIHIFSFTGEEMATKADYTLDEESRA
RIKTRLFTIRQEMASRGLWDSFRQSERAAAELA

Ligand ID

RLT

InChI

InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)

InChIKey

CZFFBEXEKNGXKS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.352	CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)O
OpenEye OEToolkits 1.7.0	Cc1nnc(o1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(cc3)F

Formula

C20 H21 F N6 O5

Name

N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide;
RALTEGRAVIR, MK0518

PDB chain

7m0n Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7m0n Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Resolution	2.4 Å
Binding residue (original residue number in PDB)	Y24 H41 F105 L106 Y130 E133 K134
Binding residue (residue number reindexed from 1)	Y24 H41 F86 L87 Y111 E114 K115
Annotation score	1

Enzyme Commision number

	Biological Process
GO:0039694	viral RNA genome replication

PDB	RCSB:7m0n, PDBe:7m0n, PDBj:7m0n
PDBsum	7m0n
PubMed	36603507
UniProt	C6Y633

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Structure of PDB 7m0n Chain D Binding Site BS01