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Target
Reverse transcriptase/RNaseH
Ligand
BDBM50168052
Substrate
n/a
Meas. Tech.
ChEMBL_305565 (CHEMBL828584)
IC50
2300±n/a nM
Citation
 Ranise, A; Spallarossa, A; Cesarini, S; Bondavalli, F; Schenone, S; Bruno, O; Menozzi, G; Fossa, P; Mosti, L; La Colla, M; Sanna, G; Murreddu, M; Collu, G; Busonera, B; Marongiu, ME; Pani, A; La Colla, P; Loddo, R Structure-based design, parallel synthesis, structure-activity relationship, and molecular modeling studies of thiocarbamates, new potent non-nucleoside HIV-1 reverse transcriptase inhibitor isosteres of phenethylthiazolylthiourea derivatives. J Med Chem 48:3858-73 (2005) [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:
BDBM50168052
Synonyms:
(4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl ester | CHEMBL191910 | O-2-(1,3-dioxoisoindolin-2-yl)ethyl4-iodophenylcarbamothioate | O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
Type:
Small organic molecule
Emp. Form.:
C17H13IN2O3S
Mol. Mass.:
452.266
SMILES:
Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1
Structure:
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