| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 27 | No |
Popular Name: 3-benzamidopropanoyl 3-benzamidopropanoyl
| 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) | 1.61 | 8.43 | -32.73 | 2 | 7 | 0 | 102 | 368.389 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATG-1-E | Cathepsin G (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3100 | 0.29 | Binding ≤ 10μM |
| CEL2A-2-E | Elastase 2A (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.30 | Binding ≤ 10μM |
| CTRB1-2-E | Beta-chymotrypsin (cluster #2 Of 3), Eukaryotic | Eukaryotes | 4600 | 0.28 | Binding ≤ 10μM |
| TRY1-3-E | Trypsin I (cluster #3 Of 5), Eukaryotic | Eukaryotes | 1500 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CTRB1_HUMAN | P17538 | Beta-chymotrypsin, Human | 4600 | 0.28 | Binding ≤ 10μM |
| CATG_HUMAN | P08311 | Cathepsin G, Human | 3100 | 0.29 | Binding ≤ 10μM |
| CEL2A_PIG | P08419 | Elastase 2A, Pig | 1900 | 0.30 | Binding ≤ 10μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 1500 | 0.30 | 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 |
