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Target
Reverse transcriptase/RNaseH
Ligand
BDBM33409
Substrate
RNA/DNA hybrid
Meas. Tech.
Fluorescence-Based RNase H Assay
pH
8±n/a
Temperature
293.15±n/a K
IC50
9850±n/a nM
Comments
IC50 is mean of 6.5 and 13.2 uM.
Citation
 Kirschberg, TA; Balakrishnan, M; Squires, NH; Barnes, T; Brendza, KM; Chen, X; Eisenberg, EJ; Jin, W; Kutty, N; Leavitt, S; Liclican, A; Liu, Q; Liu, X; Mak, J; Perry, JK; Wang, M; Watkins, WJ; Lansdon, EB RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information. J Med Chem 52:5781-4 (2009) [PubMed]  Article 
Target
Name:
Reverse transcriptase/RNaseH
Synonyms:
HIV-1 Reverse Transcriptase RNase H | Human immunodeficiency virus type 1 reverse transcriptase | Reverse transcriptase/RNaseH
Type:
PROTEIN
Mol. Mass.:
65229.15
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_1473730
Residue:
566
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKRKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIRVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLRTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVLFLDGID
  
Inhibitor
Name:
BDBM33409
Synonyms:
alpha, gamma-diketo acid, 1
Type:
Small organic molecule
Emp. Form.:
C15H11NO5S
Mol. Mass.:
317.317
SMILES:
OC(=O)C(=O)CC(=O)c1ccc(NC(=O)c2ccccc2)s1
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.:
2134.40
Organism:
n/a
Description:
It is a 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-Dabcyl-modified DNA.
Residue:
23
Sequence:
GACGAGCCGGGAGCFLRESCEIN