Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50368283
Substrate
n/a
Meas. Tech.
ChEBML_159122
Ki
28±n/a nM
Citation
 Thaisrivongs, S; Tomasselli, AG; Moon, JB; Hui, J; McQuade, TJ; Turner, SR; Strohbach, JW; Howe, WJ; Tarpley, WG; Heinrikson, RL Inhibitors of the protease from human immunodeficiency virus: design and modeling of a compound containing a dihydroxyethylene isostere insert with high binding affinity and effective antiviral activity. J Med Chem 34:2344-56 (1991) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50368283
Synonyms:
CHEMBL1790565 | CHEMBL3350195
Type:
Small organic molecule
Emp. Form.:
C44H66N8O8
Mol. Mass.:
835.0436
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
Structure:
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