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TargetHuman immunodeficiency virus type 1 reverse transcriptase
LigandBDBM2337
Substrate/Competitorn/a
Meas. Tech.ChEMBL_196377
IC50 40±n/a nM
Citation Ragno RMai ASbardella GArtico MMassa SMusiu CMura MMarturana FCadeddu ALa Colla P Computer-aided design, synthesis, and anti-HIV-1 activity in vitro of 2-alkylamino-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones as novel potent non-nucleoside reverse transcriptase inhibitors, also active against the Y181C variant. J Med Chem 47:928-34 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Human immunodeficiency virus type 1 reverse transcriptase
Name:Human immunodeficiency virus type 1 reverse transcriptase
Synonyms: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
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  Blast E-value cutoff:
BDBM2337
n/a
NameBDBM2337
Synonyms:6-benzyl-1-(ethoxymethyl)-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione | CHEMBL35033 | Coactinon | Emivirine | Emivirine (EMV) | HEPT deriv. | I-EBU | MKC-442
TypeSmall organic molecule
Emp. Form.C17H22N2O3
Mol. Mass.302.3682
SMILESCCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O
Structure
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