| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 32 | Yes |
Popular Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-N-(1-ethyl-4-piperidyl)indole-2-carboxamide 1-[[5-(5-chloro-2-thienyl)isoxaz…
| 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) | 5.28 | 13.08 | -42.5 | 2 | 6 | 1 | 65 | 470.018 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FA10-1-E | Coagulation Factor X (cluster #1 Of 2), Eukaryotic | Eukaryotes | 18 | 0.34 | Binding ≤ 10μM |
| THRB-1-E | Thrombin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 370 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FA10_HUMAN | P00742 | Coagulation Factor X, Human | 18 | 0.34 | Binding ≤ 1μM |
| FA10_HUMAN | P00742 | Coagulation Factor X, Human | 18 | 0.34 | Binding ≤ 10μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 370 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| 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 |
