BDBM50164648 2'-deoxythymidine triphosphate::5'-TTP::CHEMBL363559::dTTP::dThd5'PPP::deoxy-TTP::pppdT::thymidine 5'-(tetrahydrogen triphosphate)::thymidine 5'-triphosphate
SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O
InChI Key: InChIKey=NHVNXKFIZYSCEB-XLPZGREQSA-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) | BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 61 | 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) | BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 2.20E+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 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) | BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 2.08E+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 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) | BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.20E+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 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) | BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.54E+4 | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of dTMP by burst assay using DNA/DNA Pri... | Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/aac.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 2.85E+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 | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 6.71E+4 | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of dTMP by burst assay using RNA/DNA Pri... | Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/aac.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.44E+5 | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of dTMP by burst assay usin... | Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/aac.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 7.32E+4 | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of dTMP by burst assay usin... | Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/aac.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA polymerase beta (Homo sapiens (Human)) | BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Curated by ChEMBL | Assay Description Inhibition of human DNA polymerase-beta | Bioorg Med Chem Lett 27: 1840-1847 (2017) Article DOI: 10.1016/j.bmcl.2017.02.037 BindingDB Entry DOI: 10.7270/Q2M047Q1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 2.65E+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 |