| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 18 | Yes |
Popular Name: SIRT1InhibitorIV,(S)-35 SIRT1InhibitorIV,(S)-35
Find On: PubMed — Wikipedia — Google
CAS Numbers: 371219-74-8 , 848193-72-6
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.02 | 4.17 | -6.88 | 3 | 3 | 0 | 59 | 262.74 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SIRT1-1-E | NAD-dependent Deacetylase Sirtuin 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 63 | 0.56 | Binding ≤ 10μM |
| SIRT1-1-E | NAD-dependent Deacetylase Sirtuin 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 652 | 0.48 | Binding ≤ 10μM |
| SIRT2-3-E | NAD-dependent Deacetylase Sirtuin 2 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 2770 | 0.43 | Binding ≤ 10μM |
| HST2-2-F | NAD-dependent Deacetylase HST2 (cluster #2 Of 2), Fungal | Fungi | 1300 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SIRT1_HUMAN | Q96EB6 | NAD-dependent Deacetylase Sirtuin 1, Human | 63 | 0.56 | Binding ≤ 1μM |
| HST2_YEAST | P53686 | NAD-dependent Deacetylase HST2, Yeast | 1300 | 0.46 | Binding ≤ 10μM |
| SIRT1_HUMAN | Q96EB6 | NAD-dependent Deacetylase Sirtuin 1, Human | 63 | 0.56 | Binding ≤ 10μM |
| SIRT2_HUMAN | Q8IXJ6 | NAD-dependent Deacetylase Sirtuin 2, Human | 2770 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of HSF1-mediated heat shock response | |
| SIRT1 negatively regulates rRNA Expression |
No pre-computed analogs available. Try a structural similarity search.