| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
|---|
| Ligand | BDBM50135844 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_157885 (CHEMBL765052) |
|---|
| Ki | 400±n/a nM |
|---|
| Citation |  Breccia, P; Boggetto, N; Pérez-Fernández, R; Van Gool, M; Takahashi, M; René, L; Prados, P; Badet, B; Reboud-Ravaux, M; de Mendoza, J Dimerization inhibitors of HIV-1 protease based on a bicyclic guanidinium subunit. J Med Chem46:5196-207 (2003) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Gag-Pol polyprotein [489-587] |
|---|
| 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: | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
|
|
|
|---|
| BDBM50135844 |
|---|
| n/a |
|---|
| Name | BDBM50135844 |
|---|
| Synonyms: | (2S,8S)-2-[({[({[(1S)-1-{[(1S,2R)-2-(benzyloxy)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-(benzyloxy)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-carbamoylethyl]carbamoyl}-3-methylbutyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]methyl}sulfanyl)methyl]-8-({[(2R,5R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]sulfanyl}methyl)-1H,2H,3H,4H,6H,7H,8H-pyrimido[1,2-a][1,3]diazin-9-ium | Bicyclic Guanidinium Subunit |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C80H117N10O10S2 |
|---|
| Mol. Mass. | 1442.975 |
|---|
| SMILES | CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]12C)SC[C@@H]1CCN2CC[C@@H](CSCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)OCc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)OCc3ccccc3)NC2=[NH+]1 |c:108,t:14| |
|---|
| Structure | 
|
|---|
Search and Browse
