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 1 hit 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)