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 C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N

InChI Key InChIKey=YLEQMGZZMCJKCN-UHFFFAOYSA-N

Data  1 KI  1 IC50  8 Kd

PDB links: 8 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50138406   

TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
University of Pittsburgh School of Medicine

Curated by ChEMBL
LigandPNGBDBM50138406([(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-o...)
Affinity DataKd:  8.20E+3nMAssay Description:Binding affinity to HIV1 LAI reverse transcriptase M184V mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
University of Pittsburgh School of Medicine

Curated by ChEMBL
LigandPNGBDBM50138406([(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-o...)
Affinity DataKd:  9.80E+3nMAssay Description:Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y/M184V mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
University of Pittsburgh School of Medicine

Curated by ChEMBL
LigandPNGBDBM50138406([(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-o...)
Affinity DataKd:  430nMAssay Description:Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
University of Pittsburgh School of Medicine

Curated by ChEMBL
LigandPNGBDBM50138406([(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-o...)
Affinity DataKd:  1.80E+4nMAssay Description:Binding affinity to HIV1 reverse transcriptase M184V mutant 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)