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Target
Reverse transcriptase/RNaseH
Ligand
BDBM50540697
Substrate
n/a
Meas. Tech.
ChEMBL_1982604 (CHEMBL4615866)
IC50
8100±n/a nM
Citation
 Messore, A; Corona, A; Madia, VN; Saccoliti, F; Tudino, V; De Leo, A; Scipione, L; De Vita, D; Amendola, G; Di Maro, S; Novellino, E; Cosconati, S; Métifiot, M; Andreola, ML; Valenti, P; Esposito, F; Grandi, N; Tramontano, E; Costi, R; Di Santo, R Pyrrolyl Pyrazoles as Non-Diketo Acid Inhibitors of the HIV-1 Ribonuclease H Function of Reverse Transcriptase. ACS Med Chem Lett 11:798-805 (2020) [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:
BDBM50540697
Synonyms:
CHEMBL4633074
Type:
Small organic molecule
Emp. Form.:
C32H27FN4O6
Mol. Mass.:
582.5784
SMILES:
CCOC(=O)c1cc(n[nH]1)-c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OCC(=O)Nc2ccc(cc2)C(O)=O)cc1
Structure:
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