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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50283727
Substrate
n/a
Meas. Tech.
ChEMBL_159325 (CHEMBL769378)
IC50
0.12±n/a nM
Citation
 Dorsey, BD; McDonough, C; McDaniel, SL; Levin, RB; Newton, CL; Hoffman, JM; Darke, PL; Zugay-Murphy, JA; Emini, EA; Schleif, WA; Olsen, DB; Stahlhut, MW; Rutkowski, CA; Kuo, LC; Lin, JH; Chen, IW; Michelson, SR; Holloway, MK; Huff, JR; Vacca, JP Identification of MK-944a: a second clinical candidate from the hydroxylaminepentanamide isostere series of HIV protease inhibitors. J Med Chem 43:3386-99 (2000) [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:
BDBM50283727
Synonyms:
(S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-pyridin-3-yl-pentyl]-4-thieno[2,3-b]thiophen-2-ylmethyl-piperazine-2-carboxylic acid tert-butylamide | CHEMBL96645
Type:
Small organic molecule
Emp. Form.:
C36H45N5O4S2
Mol. Mass.:
675.904
SMILES:
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccsc3s2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Structure:
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