Reaction Details Report a problem with these data
Target
Reverse transcriptase/RNaseH
Ligand
BDBM50173819
Substrate
n/a
Meas. Tech.
ChEMBL_321537 (CHEMBL880597)
IC50
750±n/a nM
Citation
 Deng, BL; Hartman, TL; Buckheit, RW; Pannecouque, C; De Clercq, E; Fanwick, PE; Cushman, M Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. J Med Chem 48:6140-55 (2005) [PubMed]  Article 
Target
Name:
Reverse transcriptase/RNaseH
Synonyms:
HIV-1 Reverse Transcriptase RNase H | Human immunodeficiency virus type 1 reverse transcriptase | Reverse transcriptase/RNaseH
Type:
PROTEIN
Mol. Mass.:
65229.15
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_1473730
Residue:
566
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKRKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIRVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLRTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVLFLDGID
  
Inhibitor
Name:
BDBM50173819
Synonyms:
3-Chloro-5-[(E)-1-(3-cyano-phenyl)-5-methoxycarbonyl-pent-1-enyl]-2-methoxy-benzoic acid methyl ester | CHEMBL198425
Type:
Small organic molecule
Emp. Form.:
C23H22ClNO5
Mol. Mass.:
427.877
SMILES:
COC(=O)CCC\C=C(/c1cccc(c1)C#N)c1cc(Cl)c(OC)c(c1)C(=O)OC
Structure:
Search PDB for entries with ligand similarity: