Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50156145
Substrate
n/a
Meas. Tech.
ChEMBL_302776 (CHEMBL838839)
Ki
5.6±n/a nM
Citation
 Shuman, CF; Vrang, L; Danielson, UH Improved structure-activity relationship analysis of HIV-1 protease inhibitors using interaction kinetic data. J Med Chem 47:5953-61 (2004) [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:
BDBM50156145
Synonyms:
2,7-Bis-[3-(1-hydroxyamino-ethyl)-benzyl]-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda*6*-[1,2,7]thiadiazepane-4,5-diol | CHEMBL190112
Type:
Small organic molecule
Emp. Form.:
C36H44N4O8S
Mol. Mass.:
692.822
SMILES:
CC(NO)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(C)NO)S2(=O)=O)c1
Structure:
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