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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM326
Substrate
n/a
Meas. Tech.
ChEMBL_158026 (CHEMBL768619)
Ki
6.2±n/a nM
Kd
675±n/a nM
KON
499000 M-1s-1
Citation
 Markgren, PO; Schaal, W; Hämäläinen, M; Karlén, A; Hallberg, A; Samuelsson, B; Danielson, UH Relationships between structure and interaction kinetics for HIV-1 protease inhibitors. J Med Chem 45:5430-9 (2002) [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:
BDBM326
Synonyms:
(3R,4S,5S,6R)-2,7-Bis[3-(N-methylcarbamoyl)benzyl]-3,6-bis(phenoxymethyl)-4,5-dihydroxy-1,2,7-thiadiazepine 1,1-Dioxide | 3-{[(3R,4S,5S,6R)-4,5-dihydroxy-7-{[3-(methylcarbamoyl)phenyl]methyl}-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl}-N-methylbenzamide | CHEMBL436262 | Cyclic Sulfamide deriv. 4
Type:
Small organic molecule
Emp. Form.:
C36H40N4O8S
Mol. Mass.:
688.79
SMILES:
CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(=O)NC)S2(=O)=O)c1 |r|
Structure:
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