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TargetHuman immunodeficiency virus type 1 reverse transcriptase
LigandBDBM1772
Substrate/Competitorn/a
Meas. Tech.ChEMBL_307251
IC50 891±n/a nM
Citation Sciabola SCarosati EBaroni MMannhold R Comparison of ligand-based and structure-based 3D-QSAR approaches: a case study on (aryl-)bridged 2-aminobenzonitriles inhibiting HIV-1 reverse transcriptase. J Med Chem 48:3756-67 (2005) [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:
BDBM1772
n/a
NameBDBM1772
Synonyms:2-Amino-6-arylthiobenzonitrile deriv. 2q | 2-amino-6-{[3-methoxy-5-(trifluoromethyl)benzene]sulfinyl}benzonitrile | CHEMBL55387
TypeSmall organic molecule
Emp. Form.C15H11F3N2O2S
Mol. Mass.340.32
SMILESCOc1cc(cc(c1)C(F)(F)F)S(=O)c1cccc(N)c1C#N
Structure
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