| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 7th, 2010 | 31 | Yes |
Popular Name: 4-chloro-N-[4-[2-[4-(1-methyl-4-piperidyl)piperazin-1-yl]-2-oxo-ethyl]thiazol-2-yl]benzamide 4-chloro-N-[4-[2-[4-(1-methyl-4-…
| 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) | 2.64 | 6.46 | -15.1 | 1 | 7 | 0 | 69 | 462.019 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 7.45 | -77.34 | 1 | 7 | 0 | 76 | 462.019 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 8.85 | -50.07 | 2 | 7 | 1 | 70 | 463.027 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.64 | 11.01 | -121.05 | 3 | 7 | 2 | 71 | 464.035 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.64 | 8.6 | -52.72 | 2 | 7 | 1 | 70 | 463.027 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FA10-1-E | Coagulation Factor X (cluster #1 Of 2), Eukaryotic | Eukaryotes | 162 | 0.31 | Binding ≤ 10μM |
| THRB-1-E | Prothrombin (cluster #1 Of 8), Eukaryotic | Eukaryotes | 8600 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FA10_HUMAN | P00742 | Coagulation Factor X, Human | 162 | 0.31 | Binding ≤ 1μM |
| FA10_HUMAN | P00742 | Coagulation Factor X, Human | 162 | 0.31 | Binding ≤ 10μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 8600 | 0.23 | Binding ≤ 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 |
