Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetReverse transcriptase/RNaseH
LigandBDBM50036543
Substrate/Competitorn/a
Meas. Tech.ChEMBL_195535 (CHEMBL800982)
IC50 160±n/a nM
Citation Silverman, BDPlatt, DE Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition. J Med Chem39:2129-40 (1996) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Reverse transcriptase/RNaseH
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:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPV
FAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKRKSVTVLDVGDAYFSVPL
DEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVI
YQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWT
VQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIRVRQLCKLLRGTKALTEVIPLTEEAE
LELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLRTGKYARMRGA
HTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTP
PLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQ
AIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHK
GIGGNEQVDKLVSAGIRKVLFLDGID
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50036543
n/a
NameBDBM50036543
Synonyms:4-Chloro-6-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one | CHEMBL307994
TypeSmall organic molecule
Emp. Form.C16H20ClN3O
Mol. Mass.305.802
SMILESCC1N(CC=C(C)C)CCn2c3c1cc(Cl)cc3[nH]c2=O |(12.09,-10.6,;12.42,-9.08,;13.91,-8.75,;14.73,-10.09,;13.97,-11.44,;14.77,-12.77,;14.01,-14.11,;16.31,-12.75,;14.64,-7.12,;13.89,-5.79,;12.37,-5.54,;11.23,-6.59,;11.23,-8.13,;9.9,-8.9,;8.56,-8.13,;7.22,-8.92,;8.56,-6.59,;9.9,-5.82,;10.23,-4.3,;11.76,-4.16,;12.55,-2.83,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: