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Target
Gag-Pol polyprotein
Ligand
BDBM34435
Substrate
RNA/DNA hybrid
Meas. Tech.
HIV-1 RT-RNase H MLSCN MH077605 Probe Assessment: Dose response Assay
pH
8±n/a
Temperature
296.15±n/a K
IC50
93.999997±n/a nM
Citation
 PubChem, PC HIV-1 RT-RNase H MLSCN MH077605 Probe Assessment: Dose response Assay PubChem Bioassay (2007)[AID]
Target
Name:
Gag-Pol polyprotein
Synonyms:
HIV-1 reverse transcriptase (HIV-1 RT) | Integrase | POL_HV1H2 | Pr160Gag-Pol | Protease | Reverse transcriptase (HIV-1 RT) | Reverse transcriptase (RT) | Ribonuclease H (RNase H) | gag-pol | p51 RT | p66 RT
Type:
Protein
Mol. Mass.:
162074.74
Organism:
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)
Description:
P04585
Residue:
1435
Sequence:
MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGLLETSEGCRQILGQLQPSLQTGSEELRSLYNTVATLYCVHQRIEIKDTKEALDKIEEEQNKSKKKAQQAAADTGHSNQVSQNYPIVQNIQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRVHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTNNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPAATLEEMMTACQGVGGPGHKARVLAEAMSQVTNSATIMMQRGNFRNQRKIVKCFNCGKEGHTARNCRAPRKKGCWKCGKEGHQMKDCTERQANFLREDLAFLQGKAREFSSEQTRANSPTRRELQVWGRDNNSPSEAGADRQGTVSFNFPQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVLFLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTGATVRAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRNPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM34435
Synonyms:
4-cyano-3-methyl-5-[[1-oxo-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester | 5-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)thio]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester | MLS000051364 | SMR000079493 | cid_2222655 | ethyl 4-cyano-3-methyl-5-[2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]thiophene-2-carboxylate | ethyl 5-({[(5-benzyl-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)-4-cyano-3-methyl-2-thiophenecarboxylate | ethyl 5-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C20H18N4O4S2
Mol. Mass.:
442.511
SMILES:
CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C#N)c1C
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
RNA/DNA hybrid
Synonyms:
n/a
Type:
fluorescein-labeled RNA annealed to DNA
Mol. Mass.:
358.43
Organism:
n/a
Description:
It is a 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-Dabcyl-modified DNA.
Residue:
3
Sequence:
NA