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BDBM518 (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide::AG-1343::CHEMBL584::Nelfinavir::Viracept
SMILES: Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
InChI Key: InChIKey=QAGYKUNXZHXKMR-UHFFFAOYSA-N
| Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|
| HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -11.4 | -14.2 | 2.80 | n/a | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease Mutant (V82F/I84V) (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -9.68 | -14.1 | 4.39 | n/a | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -12.8 | -15.9 | 3.09 | 9.34 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease Mutant, MDR-HM (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -9.58 | -19.2 | 9.58 | 7.04 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease Mutant, MDR-QM (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -11.0 | -18.3 | 7.29 | 8.08 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease Mutant (V82A/I84V) (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -12.4 | -15.6 | 3.19 | 9.08 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease Mutant (M46I/I54V) (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -12.4 | -18.9 | 6.49 | 9.08 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease Mutant (L10I/L90M) (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -12.1 | -16.9 | 4.79 | 8.87 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease B Subtype (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -13.1 | -15.7 | 2.60 | 9.58 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease C Subtype (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -12.6 | -15.5 | 2.90 | 9.23 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease A Subtype (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -12.5 | -15.5 | 3.00 | 9.15 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease B Subtype Mutant (V82F/I84V) (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -11.3 | -15.7 | 4.39 | 8.28 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease C Subtype Mutant (V82F/I84V) (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -10.8 | -15.0 | 4.19 | 7.92 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease A Subtype Mutant (V82F/I84V) (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -10.6 | -14.7 | 4.09 | 7.79 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease Mutant, ANAM-11 (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -8.29 | -12.1 | 3.79 | 6.07 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease Mutant, A-1 (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -12.3 | -17.1 | 4.79 | 9.05 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease Mutant, NAM-10 (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -8.59 | -14.2 | 5.59 | 6.28 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
| HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM518 (Viracept | CHEMBL584 | (3S,4aS,8aS)-N-tert-butyl-2...) | GoogleScholar | -13.1 | -15.7 | 2.60 | 9.59 | 5 | 25 | ||
TBA | Details of this binding reaction | |||||||||
