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-NKWVEPMBSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM50138406 (3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 188 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biota, Inc. Curated by ChEMBL | Assay Description Inhibitory constant against HIV-1 reverse transcriptase | J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50138406 (3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix an MSD Company Curated by ChEMBL | Assay 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... | J Med Chem 61: 9218-9228 (2018) Article DOI: 10.1021/acs.jmedchem.8b00141 BindingDB Entry DOI: 10.7270/Q2NC63TK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50138406 (3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh School of Medicine Curated by ChEMBL | Assay Description Binding affinity to HIV1 reverse transcriptase | Antimicrob Agents Chemother 53: 3715-9 (2009) Article DOI: 10.1128/aac.00392-09 BindingDB Entry DOI: 10.7270/Q2KD21R2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50138406 (3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center Curated by ChEMBL | Assay Description Binding affinity to HIV1 reverse transcriptase assessed as L-3'-azido-NTP incorporation in nascent DNA | Eur J Med Chem 46: 3832-44 (2011) Article DOI: 10.1016/j.ejmech.2011.05.051 BindingDB Entry DOI: 10.7270/Q2RN3BQP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50138406 (3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh School of Medicine Curated by ChEMBL | Assay Description Binding affinity to wild type HIV1 LAI reverse transcriptase | Antimicrob Agents Chemother 52: 157-63 (2008) Article DOI: 10.1128/aac.00904-07 BindingDB Entry DOI: 10.7270/Q2CV4MK7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50138406 (3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh School of Medicine Curated by ChEMBL | Assay Description Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y/M184V mutant | Antimicrob Agents Chemother 52: 157-63 (2008) Article DOI: 10.1128/aac.00904-07 BindingDB Entry DOI: 10.7270/Q2CV4MK7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50138406 (3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh School of Medicine Curated by ChEMBL | Assay Description Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y mutant | Antimicrob Agents Chemother 52: 157-63 (2008) Article DOI: 10.1128/aac.00904-07 BindingDB Entry DOI: 10.7270/Q2CV4MK7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50138406 (3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a |
Veterans Affairs Medical Center Curated by ChEMBL | Assay Description Binding affinity to HIV1 reverse transcriptase M184V mutant assessed as L-3'-azido-NTP incorporation in nascent DNA | Eur J Med Chem 46: 3832-44 (2011) Article DOI: 10.1016/j.ejmech.2011.05.051 BindingDB Entry DOI: 10.7270/Q2RN3BQP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM50138406 (3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a |
The University of Georgia Curated by ChEMBL | Assay Description Equilibrium binding constant at the active site of HIV-1 reverse transcriptase | Bioorg Med Chem Lett 14: 437-40 (2003) BindingDB Entry DOI: 10.7270/Q2RX9BGK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50138406 (3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh School of Medicine Curated by ChEMBL | Assay Description Binding affinity to HIV1 LAI reverse transcriptase M184V mutant | Antimicrob Agents Chemother 52: 157-63 (2008) Article DOI: 10.1128/aac.00904-07 BindingDB Entry DOI: 10.7270/Q2CV4MK7 | |||||||||||
More data for this Ligand-Target Pair |