| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2005 | 37 | Yes |
Popular Name: ethyl ethyl
| 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) | 6.45 | 3.39 | -21.35 | 2 | 7 | 0 | 108 | 505.659 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATG-1-E | Cathepsin G (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.30 | Binding ≤ 10μM |
| CEL2A-2-E | Elastase 2A (cluster #2 Of 2), Eukaryotic | Eukaryotes | 9 | 0.30 | Binding ≤ 10μM |
| CMA1-1-E | Mast Cell Protease 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 440 | 0.24 | Binding ≤ 10μM |
| CTRA-3-E | Alpha-chymotrypsin (cluster #3 Of 4), Eukaryotic | Eukaryotes | 5 | 0.31 | Binding ≤ 10μM |
| CTRB-1-E | Beta-chymotrypsin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.31 | Binding ≤ 10μM |
| TRY1-3-E | Trypsin I (cluster #3 Of 5), Eukaryotic | Eukaryotes | 540 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CTRA_BOVIN | P00766 | Alpha-chymotrypsin, Bovin | 4.5 | 0.32 | Binding ≤ 1μM |
| CTRB_BOVIN | P00767 | Beta-chymotrypsin, Bovin | 1.6 | 0.33 | Binding ≤ 1μM |
| CATG_HUMAN | P08311 | Cathepsin G, Human | 10 | 0.30 | Binding ≤ 1μM |
| CMA1_HUMAN | P23946 | Chymase, Human | 220 | 0.25 | Binding ≤ 1μM |
| CEL2A_PIG | P08419 | Elastase 2A, Pig | 0.7 | 0.35 | Binding ≤ 1μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 540 | 0.24 | Binding ≤ 1μM |
| CTRA_BOVIN | P00766 | Alpha-chymotrypsin, Bovin | 4.5 | 0.32 | Binding ≤ 10μM |
| CTRB_BOVIN | P00767 | Beta-chymotrypsin, Bovin | 1.6 | 0.33 | Binding ≤ 10μM |
| CATG_HUMAN | P08311 | Cathepsin G, Human | 10 | 0.30 | Binding ≤ 10μM |
| CMA1_HUMAN | P23946 | Chymase, Human | 220 | 0.25 | Binding ≤ 10μM |
| CEL2A_PIG | P08419 | Elastase 2A, Pig | 0.7 | 0.35 | Binding ≤ 10μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 540 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Cobalamin (Cbl, vitamin B12) transport and metabolism | |
| Degradation of the extracellular matrix | |
| Metabolism of Angiotensinogen to Angiotensins | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Signaling by SCF-KIT |
