Reaction Details Report a problem with these data
Target
Reverse transcriptase/RNaseH
Ligand
BDBM50123871
Substrate
n/a
Meas. Tech.
ChEMBL_197424 (CHEMBL799813)
IC50
2300±n/a nM
Citation
 Ranise, A; Spallarossa, A; Schenone, S; Bruno, O; Bondavalli, F; Vargiu, L; Marceddu, T; Mura, M; La Colla, P; Pani, A Design, synthesis, SAR, and molecular modeling studies of acylthiocarbamates: a novel series of potent non-nucleoside HIV-1 reverse transcriptase inhibitors structurally related to phenethylthiazolylthiourea derivatives. J Med Chem 46:768-81 (2003) [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:
BDBM50123871
Synonyms:
(4-Chloro-phenyl)-(furan-2-carbonyl)-thiocarbamic acid O-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl] ester | CHEMBL355113 | O-2-(1,3-dioxoisoindolin-2-yl)ethyl 4-chlorophenyl(furan-2-carbonyl)carbamothioate
Type:
Small organic molecule
Emp. Form.:
C22H15ClN2O5S
Mol. Mass.:
454.883
SMILES:
Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccco1
Structure:
Search PDB for entries with ligand similarity: