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Target
Reverse transcriptase
Ligand
BDBM222178
Substrate
n/a
Meas. Tech.
ChEMBL_656649 (CHEMBL1245693)
IC50
42±n/a nM
Citation
 Azijn, H; Tirry, I; Vingerhoets, J; de Béthune, MP; Kraus, G; Boven, K; Jochmans, D; Van Craenenbroeck, E; Picchio, G; Rimsky, LT TMC278, a next-generation nonnucleoside reverse transcriptase inhibitor (NNRTI), active against wild-type and NNRTI-resistant HIV-1. Antimicrob Agents Chemother 54:718-27 (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:
BDBM222178
Synonyms:
Rilpivirine
Type:
Small organic molecule
Emp. Form.:
C22H18N6
Mol. Mass.:
366.4185
SMILES:
Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1
Structure:
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