Reaction Details |
| Report a problem with these data |
Target | Gag-Pol polyprotein [484-582,Q491K,I497V,V499I,E519D,G532V,I538V,R541K,D544E,L547P,Q553K,V566A,L573M] |
---|
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 | 0.025±0.030 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,G532V,I538V,R541K,D544E,L547P,Q553K,V566A,L573M] |
---|
Name: | Gag-Pol polyprotein [484-582,Q491K,I497V,V499I,E519D,G532V,I538V,R541K,D544E,L547P,Q553K,V566A,L573M] |
Synonyms: | HIV-1 protease M1 | POL_HV196 | gag-pol |
Type: | Protein |
Mol. Mass.: | 10742.69 |
Organism: | Human immunodeficiency virus |
Description: | HIV-1 protease mutant (L10I, G48V, I54V, L63P, V82A) |
Residue: | 99 |
Sequence: | PQITLWKRPIVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIVGIGGFVKVKQYE
QVPIEICGKKAIGTVLVGPTPANIIGRNMLTQIGCTLNF
|
|
|
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 |
|