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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50121498
Substrate
n/a
Meas. Tech.
ChEMBL_158026 (CHEMBL768619)
Ki
19±n/a nM
Kd
343±n/a nM
KON
221000 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:
BDBM50121498
Synonyms:
4-[4,5-Dihydroxy-7-(4-hydroxymethyl-benzyl)-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda*6*-[1,2,7]thiadiazepan-2-ylmethyl]-benzoic acid methyl ester | CHEMBL149862
Type:
Small organic molecule
Emp. Form.:
C35H38N2O9S
Mol. Mass.:
662.749
SMILES:
COC(=O)c1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(CO)cc3)S2(=O)=O)cc1
Structure:
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