Reaction Details  Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM50501697
Substrate
n/a
Meas. Tech.
ChEMBL_1661651 (CHEMBL4011263)
IC50
5930±n/a nM
Citation
 Xue, P; Lu, HH; Zhu, YY; Ju, XL; Pannecouque, C; Zheng, XJ; Liu, GY; Zhang, XL; Gu, SX Design and synthesis of hybrids of diarylpyrimidines and diketo acids as HIV-1 inhibitors. Bioorg Med Chem Lett 27:1640-1643 (2017) [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:
BDBM50501697
Synonyms:
CHEMBL4070234
Type:
Small organic molecule
Emp. Form.:
C21H14N4O5
Mol. Mass.:
402.3597
SMILES:
OC(=O)C(=O)CC(=O)c1cccc(Oc2ccnc(Nc3ccc(cc3)C#N)n2)c1
Structure:
Search PDB for entries with ligand similarity: