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Target
Reverse transcriptase
Ligand
BDBM50058789
Substrate
n/a
Meas. Tech.
ChEMBL_1450642 (CHEMBL3362706)
IC50
2400±n/a nM
Citation
 Lacbay, CM; Mancuso, J; Lin, YS; Bennett, N; Götte, M; Tsantrizos, YS Modular assembly of purine-like bisphosphonates as inhibitors of HIV-1 reverse transcriptase. J Med Chem 57:7435-49 (2014) [PubMed]  Article 
Target
Name:
Reverse transcriptase
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
29598.37
Organism:
Human immunodeficiency virus 1
Description:
Q9WKE8
Residue:
254
Sequence:
PISPITVPVKLKPGMDGPKVKQWPLTEEKIKALTEICTEMEKEGKIEKIGPENPYNTPVFAIKKKDSTKWRKVVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIEQHRAKIEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVN
  
Inhibitor
Name:
BDBM50058789
Synonyms:
CHEMBL3327158
Type:
Small organic molecule
Emp. Form.:
C17H20N4O7P2S
Mol. Mass.:
486.376
SMILES:
COc1cccc(c1)-c1cc2c(NCC(P(O)(O)=O)P(O)(O)=O)ncnc2nc1SC
Structure:
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