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Target
Reverse transcriptase
Ligand
BDBM50501152
Substrate
n/a
Meas. Tech.
ChEMBL_1613444 (CHEMBL3855244)
IC50
360±n/a nM
Citation
 Kang, D; Fang, Z; Li, Z; Huang, B; Zhang, H; Lu, X; Xu, H; Zhou, Z; Ding, X; Daelemans, D; De Clercq, E; Pannecouque, C; Zhan, P; Liu, X Design, Synthesis, and Evaluation of Thiophene[3,2-d]pyrimidine Derivatives as HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors with Significantly Improved Drug Resistance Profiles. J Med Chem 59:7991-8007 (2016) [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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