| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2009 | 30 | No |
Popular Name: gatran gatran
None
| 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) | -0.18 | 6.98 | -88.45 | 8 | 9 | 2 | 149 | 418.542 | 11 | ↓ |
| Hi High (pH 8-9.5) | -0.18 | 5.76 | -52.36 | 7 | 9 | 1 | 145 | 417.534 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THRB-1-E | Prothrombin (cluster #1 Of 8), Eukaryotic | Eukaryotes | 85 | 0.33 | Binding ≤ 10μM |
| TRY1-3-E | Trypsin I (cluster #3 Of 5), Eukaryotic | Eukaryotes | 9 | 0.38 | Binding ≤ 10μM |
| THRB-1-E | Thrombin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 83 | 0.33 | Functional ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 83 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THRB_HUMAN | P00734 | Thrombin, Human | 18 | 0.36 | Binding ≤ 1μM |
| TRY1_BOVIN | P00760 | Trypsin I, Bovin | 9.1 | 0.38 | Binding ≤ 1μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 18 | 0.36 | Binding ≤ 10μM |
| TRY1_BOVIN | P00760 | Trypsin I, Bovin | 9.1 | 0.38 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 83 | 0.33 | Functional ≤ 10μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 83 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Cell surface interactions at the vascular wall | |
| 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 |
