In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 31 | Yes |
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) | 0.85 | -1.67 | -21.52 | 2 | 8 | 0 | 101 | 432.406 | 8 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 2.46e-02 g/l | DrugBank-experimental |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
THRB-1-E | Prothrombin (cluster #1 Of 8), Eukaryotic | Eukaryotes | 4 | 0.38 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
THRB_HUMAN | P00734 | Thrombin, Human | 4.2 | 0.38 | Binding ≤ 1μM |
THRB_HUMAN | P00734 | Thrombin, Human | 4.2 | 0.38 | Binding ≤ 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 |