Target
Reverse transcriptase
Ligand
BDBM50482313
Substrate
n/a
Meas. Tech.
ChEMBL_640767 (CHEMBL1175708)
IC50
216±n/a nM
Citation
 Kertesz, DJBrotherton-Pleiss, CYang, MWang, ZLin, XQiu, ZHirschfeld, DRGleason, SMirzadegan, TDunten, PWHarris, SFVillaseņor, AGHang, JQHeilek, GMKlumpp, K Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg Med Chem Lett 20:4215-8 (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:
BDBM50482313
Synonyms:
CHEMBL1170005
Type:
Small organic molecule
Emp. Form.:
C26H27BrClN5O3S
Mol. Mass.:
604.946
SMILES:
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)S(C)(=O)=O)CC2)ncc1Br)C#N
Structure:
Search PDB for entries with ligand similarity: