Reaction Details Report a problem with these data
Target
Reverse transcriptase/RNaseH
Ligand
BDBM50050814
Substrate
n/a
Meas. Tech.
ChEMBL_195535 (CHEMBL800982)
IC50
5±n/a nM
Citation
 Silverman, BD; Platt, DE Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition. J Med Chem 39:2129-40 (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:
BDBM50050814
Synonyms:
5-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione | CHEMBL306904 | tivirapine
Type:
Small organic molecule
Emp. Form.:
C16H20ClN3S
Mol. Mass.:
321.868
SMILES:
CC1Cn2c3c(CN1CC=C(C)C)c(Cl)ccc3[nH]c2=S |(13.69,-4.97,;12.16,-5,;11.48,-3.62,;9.99,-3.27,;8.8,-4.23,;8.8,-5.78,;9.99,-6.74,;11.48,-6.4,;12.44,-7.62,;11.87,-9.05,;12.82,-10.26,;12.25,-11.69,;14.35,-10.03,;7.47,-6.55,;7.47,-8.09,;6.13,-5.78,;6.13,-4.23,;7.47,-3.46,;7.8,-1.96,;9.45,-1.84,;10.35,-.58,)|
Structure:
Search PDB for entries with ligand similarity: