Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetReverse transcriptase/RNaseH
LigandBDBM50173813
Substrate/Competitorn/a
Meas. Tech.ChEMBL_321537 (CHEMBL880597)
IC50 840±n/a nM
Citation Deng, BLHartman, TLBuckheit, RWPannecouque, CDe Clercq, EFanwick, PECushman, M Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. J Med Chem48:6140-55 (2005) [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:
BDBM50173813
n/a
NameBDBM50173813
Synonyms:(E)-5-[1-(3-cyanophenyl)-5-methoxycarbonylpent-1-enyl]-2-methoxy-3-methylbenzoic acid methyl este | 5-[(E)-1-(3-Cyano-phenyl)-5-methoxycarbonyl-pent-1-enyl]-2-methoxy-3-methyl-benzoic acid methyl ester | CHEMBL198050
TypeSmall organic molecule
Emp. Form.C24H25NO5
Mol. Mass.407.459
SMILESCOC(=O)CCC\C=C(/c1cccc(c1)C#N)c1cc(C)c(OC)c(c1)C(=O)OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: