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Target
Reverse transcriptase
Ligand
BDBM50482341
Substrate
n/a
Meas. Tech.
ChEMBL_642255 (CHEMBL1177074)
IC50
2300±n/a nM
Citation
 Younis, Y; Hunter, R; Muhanji, CI; Hale, I; Singh, R; Bailey, CM; Sullivan, TJ; Anderson, KS [d4U]-spacer-[HI-236] double-drug inhibitors of HIV-1 reverse-transcriptase. Bioorg Med Chem 18:4661-73 (2010) [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:
BDBM50482341
Synonyms:
CHEMBL1172577
Type:
Small organic molecule
Emp. Form.:
C46H56BrN6O14PS
Mol. Mass.:
1059.911
SMILES:
COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@H](C=C1)n1cc(C#CCOCCOCCOCCOCCOc2ccc(OC)cc2CCNC(=S)Nc2ccc(Br)cn2)c(=O)[nH]c1=O)Oc1ccc(C)cc1 |r,c:14|
Structure:
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