Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50457612
Substrate
n/a
Meas. Tech.
ChEMBL_1760346 (CHEMBL4195354)
Ki
0.008000±n/a nM
Citation
 Ghosh, AK; R Nyalapatla, P; Kovela, S; Rao, KV; Brindisi, M; Osswald, HL; Amano, M; Aoki, M; Agniswamy, J; Wang, YF; Weber, IT; Mitsuya, H Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis. J Med Chem 61:4561-4577 (2018) [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:
BDBM50457612
Synonyms:
CHEMBL4218164
Type:
Small organic molecule
Emp. Form.:
C31H42N2O8S
Mol. Mass.:
602.739
SMILES:
[H][C@]12CO[C@]3([H])OCC[C@]([H])([C@@H](C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1)[C@]23[H] |r|
Structure:
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