Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM1944
Substrate
n/a
Meas. Tech.
ChEMBL_1688172 (CHEMBL4038742)
EC50
>23000±n/a nM
Citation
 Lu, HH; Xue, P; Zhu, YY; Ju, XL; Zheng, XJ; Zhang, X; Xiao, T; Pannecouque, C; Li, TT; Gu, SX Structural modifications of diarylpyrimidines (DAPYs) as HIV-1 NNRTIs: Synthesis, anti-HIV activities and SAR. Bioorg Med Chem 25:2491-2497 (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:
BDBM1944
Synonyms:
BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | Delavirdine | N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide | Rescriptor | U-90152S
Type:
Small organic molecule
Emp. Form.:
C22H28N6O3S
Mol. Mass.:
456.561
SMILES:
CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Structure:
Search PDB for entries with ligand similarity: