957889-73-5
957889-73-5 structure
- Name: (S)-BI-1001
- Chemical Name: (S)-BI-1001
- CAS Number: 957889-73-5
- Molecular Formula: C19H15BrClNO3
- Molecular Weight: 420.68
- Catalog: Signaling Pathways Metabolic Enzyme/Protease HIV Integrase
- Create Date: 2020-04-12 19:54:45
- Modify Date: 2024-01-14 08:25:06
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(S)-BI-1001 (Compound 11) is an active S-enantiomer of BI-1001. (S)-BI-1001 exhibits antiviral potency against HIV-1 integrase with an IC50 of 28 nM, an EC50 of 450 nM and a Kd of 4.7 μM[1].
| Name | (S)-BI-1001 |
|---|
| Description | (S)-BI-1001 (Compound 11) is an active S-enantiomer of BI-1001. (S)-BI-1001 exhibits antiviral potency against HIV-1 integrase with an IC50 of 28 nM, an EC50 of 450 nM and a Kd of 4.7 μM[1]. |
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| Related Catalog | |
| Target |
IC50: 28 nM (HIV-1 integrase)[1] EC50: 450 nM (HIV-1 integrase)[1] Kd: 4.7 μM (HIV-1 integrase)[1] |
| In Vitro | The C3 substituent is critical to the binding of (S)-BI-1001 (Compound 11) to the CCD of integrase and makes two key contacts with the protein: (a) a bivalent hydrogen bonding interaction with protein backbone at residues E170 and H171, and (b) a van der Waals contact deep in the hydrophobic pocket via the methoxyl group. The quinoline scaffold lies flat on the surface of the protein partially covering residues 124 and 125 and makes productive contact with the methyl group of A128[1]. |
| References |
| Molecular Formula | C19H15BrClNO3 |
|---|---|
| Molecular Weight | 420.68 |