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Target
Reverse transcriptase/RNaseH
Ligand
BDBM50574901
Substrate
n/a
Meas. Tech.
ChEMBL_2123611 (CHEMBL4832844)
IC50
144±n/a nM
Citation
 Wang, Z; Zalloum, WA; Wang, W; Jiang, X; De Clercq, E; Pannecouque, C; Kang, D; Zhan, P; Liu, X Discovery of Novel Dihydrothiopyrano[4,3- J Med Chem 64:13658-13675 (2021) [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:
BDBM50574901
Synonyms:
CHEMBL4845772
Type:
Small organic molecule
Emp. Form.:
C29H32N6O2S
Mol. Mass.:
528.668
SMILES:
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(c3)C(N)=O)CC2)nc2CCSCc12)C#N
Structure:
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