| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 35 | No |
Popular Name: Ac-YVAD-CHO Ac-YVAD-CHO
Find On: PubMed — Wikipedia — Google
CAS Numbers: 143313-51-3 , 174063-88-8
| 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) | -1.15 | 3.28 | -57.26 | 5 | 12 | -1 | 194 | 491.521 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CASP1-1-E | Caspase-1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.36 | Binding ≤ 10μM |
| CASP1-1-E | Caspase-1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8 | 0.32 | Binding ≤ 10μM |
| Z100081-2-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #2 Of 4), Other | Other | 1200 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CASP1_HUMAN | P29466 | Caspase-1, Human | 0.76 | 0.36 | Binding ≤ 1μM |
| CASP1_MOUSE | P29452 | Caspase-1, Mouse | 9 | 0.32 | Binding ≤ 1μM |
| CASP1_HUMAN | P29466 | Caspase-1, Human | 0.76 | 0.36 | Binding ≤ 10μM |
| CASP1_MOUSE | P29452 | Caspase-1, Mouse | 9 | 0.32 | Binding ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 1200 | 0.24 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Interleukin-1 processing | |
| NOD1/2 Signaling Pathway | |
| The AIM2 inflammasome | |
| The IPAF inflammasome | |
| The NLRP3 inflammasome |
