Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM50013111
Substrate
n/a
Meas. Tech.
ChEMBL_642255 (CHEMBL1177074)
IC50
9600±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:
BDBM50013111
Synonyms:
1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione | 1-((2R,5S)-5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione | 1-(5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione | 1-(5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (ddeThd) | 2',3'-didehydro-3'-deoxythymidine | 2',3'-dideoxy-2',3'-didehydrothymidine | 3'-deoxy-2',3'-didehydrothymidine | 3'-deoxy-2'-thymidine | BMY-27857 | CHEMBL991 | STAVUDINE | Zerit | Zerit xr | cid_18283 | cid_5155 | d4T
Type:
Small organic molecule
Emp. Form.:
C10H12N2O4
Mol. Mass.:
224.2133
SMILES:
Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |r,c:9|
Structure:
Search PDB for entries with ligand similarity: