| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2006 | 27 | Yes |
Popular Name: AS-186a AS-186a
| 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) | 3.97 | 5.64 | -13.07 | 2 | 6 | 0 | 85 | 372.417 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 6.51 | -53.76 | 1 | 6 | -1 | 88 | 371.409 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1-1-E | Calpain 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7100 | 0.27 | Binding ≤ 10μM |
| CAN2-1-E | Calpain 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7100 | 0.27 | Binding ≤ 10μM |
| CPNS1-1-E | Calpain Small Subunit 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7100 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1_HUMAN | P07384 | Calpain 1, Human | 7100 | 0.27 | Binding ≤ 10μM |
| CAN2_HUMAN | P17655 | Calpain 2, Human | 7100 | 0.27 | Binding ≤ 10μM |
| CPNS1_HUMAN | P04632 | Calpain Small Subunit 1, Human | 7100 | 0.27 | Binding ≤ 10μM |
| CPNS1_RAT | Q64537 | Calpain Small Subunit 1, Rat | 7100 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Degradation of the extracellular matrix |
