Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM31817
Substrate
n/a
Meas. Tech.
ChEMBL_824206 (CHEMBL2044141)
Ki
0.440000±n/a nM
Citation
 Chang, YC; Yu, X; Zhang, Y; Tie, Y; Wang, YF; Yashchuk, S; Ghosh, AK; Harrison, RW; Weber, IT Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring. J Med Chem 55:3387-97 (2012) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM31817
Synonyms:
GRL-02031 | methyl-2-pyrrolidinone, 19b
Type:
Small organic molecule
Emp. Form.:
C30H39N3O8S
Mol. Mass.:
601.711
SMILES:
[H][C@]1(C[C@]2([H])CCO[C@]2([H])C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1 |r|
Structure:
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