Target
Protease
Ligand
BDBM50523564
Substrate
n/a
Meas. Tech.
ChEMBL_1890717 (CHEMBL4392471)
IC50
4.0±n/a nM
Citation
 A M Subbaiah, MMandlekar, SDesikan, SRamar, TSubramani, LAnnadurai, MDesai, SDSinha, SJenkins, SMKrystal, MRSubramanian, MSridhar, SPadmanabhan, SBhutani, PArla, RSingh, SSinha, JThakur, MKadow, JFMeanwell, NA Design, Synthesis, and Pharmacokinetic Evaluation of Phosphate and Amino Acid Ester Prodrugs for Improving the Oral Bioavailability of the HIV-1 Protease Inhibitor Atazanavir. J Med Chem 62:3553-3574 (2019) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50523564
Synonyms:
CHEMBL4525849
Type:
Small organic molecule
Emp. Form.:
C41H57N7O8
Mol. Mass.:
775.9334
SMILES:
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@H](C)N)C(C)(C)C |r|
Structure:
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