Reaction Details Report a problem with these data
Target
Reverse transcriptase/RNaseH
Ligand
BDBM2803
Substrate
n/a
Meas. Tech.
ChEMBL_321537 (CHEMBL880597)
IC50
499±n/a nM
Citation
 Deng, BL; Hartman, TL; Buckheit, RW; Pannecouque, C; De Clercq, E; Fanwick, PE; Cushman, M Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. J Med Chem 48:6140-55 (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:
BDBM2803
Synonyms:
Alkenyldiarylmethanes (ADAM) 50a | CHEMBL131761 | Methyl 5-{1-[3-Bromo-4-methoxy-5-(methoxycarbonyl)phenyl]-4-(2-oxo(1,3-oxazolidin-3-yl))but-1-enyl}-3-bromo-2-methoxybenzoate | methyl 3-bromo-5-{1-[3-bromo-4-methoxy-5-(methoxycarbonyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-en-1-yl}-2-methoxybenzoate
Type:
Small organic molecule
Emp. Form.:
C25H25Br2NO8
Mol. Mass.:
627.276
SMILES:
[#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#8]-[#6]-1=O)\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Structure:
Search PDB for entries with ligand similarity: