In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 32 | Yes |
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) | 4.04 | 8.37 | -52.02 | 4 | 6 | 1 | 94 | 458.648 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.04 | 7.97 | -14.81 | 3 | 6 | 0 | 93 | 457.64 | 10 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
THRB-1-E | Prothrombin (cluster #1 Of 8), Eukaryotic | Eukaryotes | 10 | 0.35 | Binding ≤ 10μM |
TRY1-4-E | Trypsin I (cluster #4 Of 5), Eukaryotic | Eukaryotes | 9040 | 0.22 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
THRB_HUMAN | P00734 | Thrombin, Human | 10 | 0.35 | Binding ≤ 1μM |
THRB_HUMAN | P00734 | Thrombin, Human | 10 | 0.35 | Binding ≤ 10μM |
TRY1_BOVIN | P00760 | Trypsin I, Bovin | 9040 | 0.22 | 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 |