| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 31 | No |
| 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) | -0.34 | 5.3 | -88.32 | 9 | 9 | 2 | 156 | 452.987 | 13 | ↓ |
| Hi High (pH 8-9.5) | -0.34 | 3.86 | -48.36 | 8 | 9 | 1 | 151 | 451.979 | 13 | ↓ |
| Hi High (pH 8-9.5) | -0.29 | 3.81 | -67.75 | 8 | 9 | 1 | 164 | 451.979 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FA10-1-E | Coagulation Factor X (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.26 | Binding ≤ 10μM |
| FA12-1-E | Coagulation Factor XII (cluster #1 Of 1), Eukaryotic | Eukaryotes | 180 | 0.30 | Binding ≤ 10μM |
| KLKB1-3-E | Plasma Kallikrein (cluster #3 Of 3), Eukaryotic | Eukaryotes | 31 | 0.34 | Binding ≤ 10μM |
| TF-1-E | Coagulation Factor III (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1500 | 0.26 | Binding ≤ 10μM |
| THRB-1-E | Prothrombin (cluster #1 Of 8), Eukaryotic | Eukaryotes | 2500 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FA12_HUMAN | P00748 | Coagulation Factor XII, Human | 180 | 0.30 | Binding ≤ 1μM |
| KLKB1_HUMAN | P03952 | Plasma Kallikrein, Human | 31 | 0.34 | Binding ≤ 1μM |
| TF_HUMAN | P13726 | Coagulation Factor III, Human | 1500 | 0.26 | Binding ≤ 10μM |
| FA10_HUMAN | P00742 | Coagulation Factor X, Human | 1900 | 0.26 | Binding ≤ 10μM |
| FA12_HUMAN | P00748 | Coagulation Factor XII, Human | 180 | 0.30 | Binding ≤ 10μM |
| KLKB1_HUMAN | P03952 | Plasma Kallikrein, Human | 31 | 0.34 | Binding ≤ 10μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 2500 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Cell surface interactions at the vascular wall | |
| Common Pathway | |
| Extrinsic 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 |
