| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Protease |
|---|
| Ligand | BDBM50190623 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1721669 (CHEMBL4136669) |
|---|
| IC50 | 0.7±n/a nM |
|---|
| Citation |  Bungard, CJ; Williams, PD; Schulz, J; Wiscount, CM; Holloway, MK; Loughran, HM; Manikowski, JJ; Su, HP; Bennett, DJ; Chang, L; Chu, XJ; Crespo, A; Dwyer, MP; Keertikar, K; Morriello, GJ; Stamford, AW; Waddell, ST; Zhong, B; Hu, B; Ji, T; Diamond, TL; Bahnck-Teets, C; Carroll, SS; Fay, JF; Min, X; Morris, W; Ballard, JE; Miller, MD; McCauley, JA Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors. ACS Med Chem Lett8:1292-1297 (2017) [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
|
|
|
|---|
| BDBM50190623 |
|---|
| n/a |
|---|
| Name | BDBM50190623 |
|---|
| Synonyms: | CHEMBL3828743 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C30H30ClF6N5O4 |
|---|
| Mol. Mass. | 674.034 |
|---|
| SMILES | N[C@@H]([C@@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
