BDBM50138406 3TC Triphosphate::CHEMBL1230::LAMIVUDINE::Lamivudine triphosphate::[(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl tetrahydrogen triphosphate::[[[5-(4-amino-2-oxo-1H-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid

SMILES Nc1ccn([C@@H]2CS[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1

InChI Key InChIKey=YLEQMGZZMCJKCN-UHFFFAOYSA-N

Data  1 KI  1 IC50  8 Kd

PDB links: 8 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50138406   

TargetReverse transcriptase(Human immunodeficiency virus type 1)
Idenix An Msd

Curated by ChEMBL
LigandPNGBDBM50138406([(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-o...)
Affinity DataIC50: 15nMAssay Description:Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Idenix An Msd

Curated by ChEMBL
LigandPNGBDBM50138406([(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-o...)
Affinity DataKd:  370nMAssay Description:Binding affinity to HIV1 reverse transcriptaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Idenix An Msd

Curated by ChEMBL
LigandPNGBDBM50138406([(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-o...)
Affinity DataKd:  370nMAssay Description:Binding affinity to wild type HIV1 LAI reverse transcriptaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Idenix An Msd

Curated by ChEMBL
LigandPNGBDBM50138406([(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-o...)
Affinity DataKd:  130nMAssay Description:Binding affinity to HIV1 reverse transcriptase assessed as L-3'-azido-NTP incorporation in nascent DNAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)