| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-587] |
|---|
| Ligand | BDBM50041026 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_157567 (CHEMBL763318) |
|---|
| Ki | 1.7±n/a nM |
|---|
| Citation |  Greer, J; Erickson, JW; Baldwin, JJ; Varney, MD Application of the three-dimensional structures of protein target molecules in structure-based drug design. J Med Chem37:1035-54 (1994) [PubMed] |
|---|
| 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
|
|
|
|---|
| BDBM50041026 |
|---|
| n/a |
|---|
| Name | BDBM50041026 |
|---|
| Synonyms: | CHEMBL10113 | N-{(1S,2S,3S,4S)-1-Benzyl-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C44H58N8O6 |
|---|
| Mol. Mass. | 794.9813 |
|---|
| SMILES | CC(C)C(NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)N(C)Cc1ccccn1)C(C)C |
|---|
| Structure | 
|
|---|
Search and Browse
