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Target
Reverse transcriptase
Ligand
BDBM50482310
Substrate
n/a
Meas. Tech.
ChEMBL_640765 (CHEMBL1175706)
IC50
84±n/a nM
Citation
 Kertesz, DJ; Brotherton-Pleiss, C; Yang, M; Wang, Z; Lin, X; Qiu, Z; Hirschfeld, DR; Gleason, S; Mirzadegan, T; Dunten, PW; Harris, SF; Villaseņor, AG; Hang, JQ; Heilek, GM; Klumpp, 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:
BDBM50482310
Synonyms:
CHEMBL1170006
Type:
Small organic molecule
Emp. Form.:
C25H27ClN6O3S
Mol. Mass.:
527.038
SMILES:
Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(Cc3ccc(cc3Cl)S(N)(=O)=O)CC2)n1)C#N
Structure:
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