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Target
Reverse transcriptase
Ligand
BDBM3107
Substrate
n/a
Meas. Tech.
ChEMBL_1891828 (CHEMBL4393749)
IC50
23±n/a nM
Citation
 Namasivayam, V; Vanangamudi, M; Kramer, VG; Kurup, S; Zhan, P; Liu, X; Kongsted, J; Byrareddy, SN The Journey of HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors (NNRTIs) from Lab to Clinic. J Med Chem 62:4851-4883 (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:
BDBM3107
Synonyms:
3,4-Dihydroquinazolinon 4a | 6-Chloro-4-cyclopyropyl-3,4-dihydro-4-[2-(2-pyridyl)ethyn-l-yllquinazolin- 1H)-one | 6-chloro-4-cyclopropyl-4-[2-(pyridin-2-yl)ethynyl]-1,2,3,4-tetrahydroquinazolin-2-one
Type:
Small organic molecule
Emp. Form.:
C18H14ClN3O
Mol. Mass.:
323.776
SMILES:
Clc1ccc2NC(=O)NC(C#Cc3ccccn3)(C3CC3)c2c1
Structure:
Search PDB for entries with ligand similarity: