Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50605054
Substrate
n/a
Meas. Tech.
ChEMBL_2250263 (CHEMBL5164473)
IC50
32000±n/a nM
Citation
 Kojima, EIimuro, ANakajima, MKinuta, HAsada, NSako, YNakata, ZUemura, KArita, SMiki, SWakasa-Morimoto, CTachibana, Y Pocket-to-Lead: Structure-Based  J Med Chem 65:6157-6170 (2022) [PubMed] 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | Pol polyprotein | POL_HV1H2 | 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:
BDBM50605054
Synonyms:
CHEMBL5170089
Type:
Small organic molecule
Emp. Form.:
C22H27NO5S
Mol. Mass.:
417.53
SMILES:
CCC[C@]1(c2ccc(S(C)(=O)=O)cc2)C(=O)N(Cc2ccc(OC)cc2)C[C@@H]1O
Structure:
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