Reaction Details |
| Report a problem with these data |
Target | Gag-Pol polyprotein [489-587] |
---|
Ligand | BDBM50156012 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_303547 (CHEMBL839752) |
---|
Ki | 0.400000±n/a nM |
---|
Citation | Huang, D; Caflisch, A Efficient evaluation of binding free energy using continuum electrostatics solvation. J Med Chem47:5791-7 (2004) [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
|
|
|
BDBM50156012 |
---|
n/a |
---|
Name | BDBM50156012 |
Synonyms: | 2-(2-{(2R,4S)-5-[2-(2-Benzyloxycarbonylamino-propionylamino)-propionylamino]-4-hydroxy-6-phenyl-2-propyl-hexanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester | CHEMBL3143749 |
Type | Small organic molecule |
Emp. Form. | C40H59N5O9 |
Mol. Mass. | 753.9246 |
SMILES | CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |
Structure |
|