Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM82099
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Assay
pH
7.8±0
Temperature
310.15±0 K
IC50
1.89e+4±n/a nM
Citation
 Bustanji, Y; Al-Masri, IM; Qasem, A; Al-Bakri, AG; Taha, MO In silico screening for non-nucleoside HIV-1 reverse transcriptase inhibitors using physicochemical filters and high-throughput docking followed by in vitro evaluation. Chem Biol Drug Des 74:258-65 (2009) [PubMed]  Article 
Target
Name:
Reverse transcriptase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
64758.82
Organism:
Human immunodeficiency virus 2
Description:
ChEMBL_725038
Residue:
560
Sequence:
MAVAKVEPIKIMLKPGKDGPKLRQWPLTKEKIEALKEICEKMEKEGQLEEAPPTNPYNTPTFAIKKKDKNKWRMLIDFRELNKVTQDFTEIQLGIPHPAGLAKKRRITVLDVGDAYFSIPLHEDFRPYTAFTLPSVNNAEPGKRYIYKVLPQGWKGSPAIFQHTMRQVLEPFRKANKDVIIIQYMDDILIASDRTDLEHDRVILQLKELLNGLGFSTPDEKFQKDPPYHWMGYELWPTKWKLQKIQLPQKEIWTVNDIQKLVGVLNWAAQLYPGIKTKHLCRLIRGKMTLTEEVQWTELAEAELEENRIILSQEQEGHYYQEEKELEATVQKDQDNQWTYKIHQEDKILKVGKYAKVKNTHTNGIRLLAQVVQKIGKEALVIWGRIPKFHLPVEREIWEQWWDNYWQVTWIPDWDFVSTPPLVRLAFNLVGDPIPGAETFYTDGSCNRQSKEGKAGYVTDRGKDKVKKLEQTTNQQAELEAFAMALTDSGPKVNIIVDSQYVMGIVASQPTESESKIVNQIIEEMIKKEAIYVAWVPAHKGIGGNQEVDHLVSQGIRQVL
  
Inhibitor
Name:
BDBM82099
Synonyms:
NCI Code, 14129
Type:
Small organic molecule
Emp. Form.:
C13H20N4O2
Mol. Mass.:
264.3235
SMILES:
CCCCCCc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Structure:
Search PDB for entries with ligand similarity: