Reaction Details Report a problem with these data
Target
Reverse transcriptase/RNaseH
Ligand
BDBM50052050
Substrate
n/a
Meas. Tech.
ChEMBL_195066 (CHEMBL797521)
IC50
>600000±n/a nM
Citation
 Campiani, G; Nacci, V; Fiorini, I; De Filippis, MP; Garofalo, A; Greco, G; Novellino, E; Altamura, S; Di Renzo, L Pyrrolobenzothiazepinones and pyrrolobenzoxazepinones: novel and specific non-nucleoside HIV-1 reverse transcriptase inhibitors with antiviral activity. J Med Chem 39:2672-80 (1996) [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:
BDBM50052050
Synonyms:
5-Ethyl-9-methyl-5-phenyl-6-thia-10b-aza-benzo[e]azulen-4-one | CHEMBL90736
Type:
Small organic molecule
Emp. Form.:
C21H19NOS
Mol. Mass.:
333.447
SMILES:
CCC1(Sc2ccc(C)cc2-n2cccc2C1=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: