| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 33 | Yes |
| 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) | 3.15 | 8.87 | -98.75 | 7 | 6 | 2 | 105 | 462.723 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 8.69 | -54.93 | 6 | 6 | 1 | 103 | 461.715 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KLKB1-3-E | Plasma Kallikrein (cluster #3 Of 3), Eukaryotic | Eukaryotes | 5000 | 0.22 | Binding ≤ 10μM |
| THRB-1-E | Prothrombin (cluster #1 Of 8), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| TRY1-3-E | Trypsin I (cluster #3 Of 5), Eukaryotic | Eukaryotes | 120 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THRB_HUMAN | P00734 | Thrombin, Human | 0.1 | 0.42 | Binding ≤ 1μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 120 | 0.29 | Binding ≤ 1μM |
| KLKB1_HUMAN | P03952 | Plasma Kallikrein, Human | 5000 | 0.22 | Binding ≤ 10μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 0.1 | 0.42 | Binding ≤ 10μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 120 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Cell surface interactions at the vascular wall | |
| Cobalamin (Cbl, vitamin B12) transport and metabolism | |
| Common Pathway | |
| G alpha (q) signalling events | |
| Gamma-carboxylation of protein precursors | |
| Intrinsic Pathway | |
| Peptide ligand-binding receptors | |
| Platelet Aggregation (Plug Formation) | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Removal of aminoterminal propeptides from gamma-carboxylated proteins | |
| Thrombin signalling through proteinase activated receptors (PARs) | |
| Transport of gamma-carboxylated protein precursors from the endoplasmic reticulu |
