Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM50501152
Substrate
n/a
Meas. Tech.
ChEMBL_1858692 (CHEMBL4359421)
IC50
222±n/a nM
Citation
 Kang, D; Feng, D; Sun, Y; Fang, Z; Wei, F; De Clercq, E; Pannecouque, C; Liu, X; Zhan, P Structure-Based Bioisosterism Yields HIV-1 NNRTIs with Improved Drug-Resistance Profiles and Favorable Pharmacokinetic Properties. J Med Chem 63:4837-4848 (2020) [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:
BDBM50501152
Synonyms:
CHEMBL3929927
Type:
Small organic molecule
Emp. Form.:
C27H28N6O3S2
Mol. Mass.:
548.68
SMILES:
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccsc12)C#N
Structure:
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