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Target
Reverse transcriptase
Ligand
BDBM50465445
Substrate
n/a
Meas. Tech.
ChEMBL_1784955 (CHEMBL4256472)
IC50
290±n/a nM
Citation
 Kang, D; Wang, Z; Zhang, H; Wu, G; Zhao, T; Zhou, Z; Huo, Z; Huang, B; Feng, D; Ding, X; Zhang, J; Zuo, X; Jing, L; Luo, W; Guma, S; Daelemans, D; Clercq, E; Pannecouque, C; Zhan, P; Liu, X Further Exploring Solvent-Exposed Tolerant Regions of Allosteric Binding Pocket for Novel HIV-1 NNRTIs Discovery. ACS Med Chem Lett 9:370-375 (2018) [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:
BDBM50465445
Synonyms:
CHEMBL4278960
Type:
Small organic molecule
Emp. Form.:
C33H32N6O3S2
Mol. Mass.:
624.776
SMILES:
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccsc12)C#Cc1ccccn1
Structure:
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