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Target
Reverse transcriptase/RNaseH
Ligand
BDBM50193524
Substrate
n/a
Meas. Tech.
ChEMBL_385312 (CHEMBL869229)
IC50
700±n/a nM
Citation
 Deng, BL; Hartman, TL; Buckheit, RW; Pannecouque, C; De Clercq, E; Cushman, M Replacement of the metabolically labile methyl esters in the alkenyldiarylmethane series of non-nucleoside reverse transcriptase inhibitors with isoxazolone, isoxazole, oxazolone, or cyano substituents. J Med Chem 49:5316-23 (2006) [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:
BDBM50193524
Synonyms:
(Z)-5-[1-(4-cyanophenyl)-5-methoxycarbonylpent-1-enyl]-2-methoxy-3-methylbenzoic acid methyl ester | CHEMBL215724
Type:
Small organic molecule
Emp. Form.:
C23H22N2O4
Mol. Mass.:
390.4318
SMILES:
COC(=O)CCC\C=C(\c1ccc(cc1)C#N)c1cc(C)c2onc(OC)c2c1
Structure:
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