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Target
Reverse transcriptase
Ligand
BDBM50517395
Substrate
n/a
Meas. Tech.
ChEMBL_1869038 (CHEMBL4370104)
IC50
56±n/a nM
Citation
 Kang, D; Zhang, H; Wang, Z; Zhao, T; Ginex, T; Luque, FJ; Yang, Y; Wu, G; Feng, D; Wei, F; Zhang, J; De Clercq, E; Pannecouque, C; Chen, CH; Lee, KH; Murugan, NA; Steitz, TA; Zhan, P; Liu, X Identification of Dihydrofuro[3,4- d]pyrimidine Derivatives as Novel HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors with Promising Antiviral Activities and Desirable Physicochemical Properties. J Med Chem 62:1484-1501 (2019) [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:
BDBM50517395
Synonyms:
CHEMBL4570398
Type:
Small organic molecule
Emp. Form.:
C26H28N6O2
Mol. Mass.:
456.5395
SMILES:
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccncc3)CC2)nc2COCc12)C#N
Structure:
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