| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Gag-Pol polyprotein [484-582,Q491K,I497V,V499I,E519D,R541K,D544E,L547P,Q553K,A555V,G557S,I568V,L573M,L574M] |
|---|
| Ligand | BDBM8125 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | HIV-1 protease inhibition assay |
|---|
| pH | 4.7±n/a |
|---|
| Temperature | 298.15±n/a K |
|---|
| Ki | 0.024±0.046 nM |
|---|
| Comments | extracted |
|---|
| Citation |  Nalam, MN; Ali, A; Reddy, GS; Cao, H; Anjum, SG; Altman, MD; Yilmaz, NK; Tidor, B; Rana, TM; Schiffer, CA Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem Biol20:1116-24 (2013) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Gag-Pol polyprotein [484-582,Q491K,I497V,V499I,E519D,R541K,D544E,L547P,Q553K,A555V,G557S,I568V,L573M,L574M] |
|---|
| Name: | Gag-Pol polyprotein [484-582,Q491K,I497V,V499I,E519D,R541K,D544E,L547P,Q553K,A555V,G557S,I568V,L573M,L574M] |
|---|
| Synonyms: | HIV-1 protease M2 | POL_HV196 | gag-pol |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 10804.78 |
|---|
| Organism: | Human immunodeficiency virus |
|---|
| Description: | HIV-1 protease mutant (L10I, L63P, A71V, G73S, I84V, L90M) |
|---|
| Residue: | 99 |
|---|
| Sequence: | PQITLWKRPIVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVKQYE
QVPIEICGKKVISTVLVGPTPVNVIGRNMMTQIGCTLNF
|
|
|
|---|
| BDBM8125 |
|---|
| n/a |
|---|
| Name | BDBM8125 |
|---|
| Synonyms: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CHEMBL1323 | Darunavir | Darunavir (DRV) | TMC-114 | UIC-94017 | US10806794, Compound Darunavir |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C27H37N3O7S |
|---|
| Mol. Mass. | 547.664 |
|---|
| SMILES | [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
