Reaction Details Report a problem with these data
Target
Reverse transcriptase/RNaseH
Ligand
BDBM50550025
Substrate
n/a
Meas. Tech.
ChEMBL_2026095 (CHEMBL4679908)
IC50
3.0±n/a nM
Citation
 Ippolito, JA; Niu, H; Bertoletti, N; Carter, ZJ; Jin, S; Spasov, KA; Cisneros, JA; Valhondo, M; Cutrona, KJ; Anderson, KS; Jorgensen, WL Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. ACS Med Chem Lett 12:249-255 (2021) [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:
BDBM50550025
Synonyms:
CHEMBL1923490
Type:
Small organic molecule
Emp. Form.:
C21H15Cl2N3O4
Mol. Mass.:
444.268
SMILES:
Clc1ccc(Oc2cc(Cl)cc(\C=C\C#N)c2)c(OCCn2ccc(=O)[nH]c2=O)c1
Structure:
Search PDB for entries with ligand similarity: