Reaction Details |
![](/images/Email.png) | Report a problem with these data |
Target | Protease |
---|
Ligand | BDBM50481032 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_600545 (CHEMBL1049070) |
---|
IC50 | 1.4±n/a nM |
---|
Citation | da Cunha, EF; Sippl, W; de Castro Ramalho, T; Ceva Antunes, OA; de Alencastro, RB; Albuquerque, MG 3D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexes. Eur J Med Chem44:4344-52 (2009) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Protease |
---|
Name: | Protease |
Synonyms: | n/a |
Type: | Enzyme |
Mol. Mass.: | 10904.79 |
Organism: | Human immunodeficiency virus 1 (HIV-1) |
Description: | Q9YQ12 |
Residue: | 99 |
Sequence: | PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
|
|
|
BDBM50481032 |
---|
n/a |
---|
Name | BDBM50481032 |
Synonyms: | CHEMBL569569 |
Type | Small organic molecule |
Emp. Form. | C50H62N4O10 |
Mol. Mass. | 879.0481 |
SMILES | CC(C)[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)Cc1ccccc1)C(C)C |r| |
Structure |
|