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Target
Reverse transcriptase protein
Ligand
BDBM50073606
Substrate
n/a
Meas. Tech.
ChEMBL_806934 (CHEMBL1959235)
IC50
3400±n/a nM
Citation
 Distinto, S; Esposito, F; Kirchmair, J; Cardia, MC; Gaspari, M; Maccioni, E; Alcaro, S; Markt, P; Wolber, G; Zinzula, L; Tramontano, E Identification of HIV-1 reverse transcriptase dual inhibitors by a combined shape-, 2D-fingerprint- and pharmacophore-based virtual screening approach. Eur J Med Chem 50:216-29 (2012) [PubMed]  Article 
Target
Name:
Reverse transcriptase protein
Synonyms:
Reverse Transcriptase | Reverse Transcriptase (A62V) | Reverse Transcriptase (F61A)
Type:
Protein
Mol. Mass.:
30203.56
Organism:
Human immunodeficiency virus 1
Description:
Q9WJQ2
Residue:
259
Sequence:
PISPIEPVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTRWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKRSVTVLDVGDAYFSVPLDKEFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLKWGFTTPDKKHQKEPPFLWMGYEHHPDKWTVQPIVLPEKDSWTVNDIQK
  
Inhibitor
Name:
BDBM50073606
Synonyms:
CHEMBL1958265
Type:
Small organic molecule
Emp. Form.:
C17H12N4O3S
Mol. Mass.:
352.367
SMILES:
Oc1ccc(cc1O)-c1csc(N\N=C2/C(=O)Nc3ccccc23)n1
Structure:
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