Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM50478514
Substrate
n/a
Meas. Tech.
ChEMBL_947897 (CHEMBL2343640)
IC50
26500±n/a nM
Citation
 Kongkum, N; Tuchinda, P; Pohmakotr, M; Reutrakul, V; Piyachaturawat, P; Jariyawat, S; Suksen, K; Akkarawongsapat, R; Kasisit, J; Napaswad, C Cytotoxic, antitopoisomerase II?, and anti-HIV-1 activities of triterpenoids isolated from leaves and twigs of Gardenia carinata. J Nat Prod 76:530-7 (2013) [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:
BDBM50478514
Synonyms:
Fagaronine | Fagaronine Chloride
Type:
Small organic molecule
Emp. Form.:
C21H20ClNO4
Mol. Mass.:
385.841
SMILES:
[Cl-].COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O
Structure:
Search PDB for entries with ligand similarity: