| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 35 | Yes |
Popular Name: Dabigatran Dabigatran
Find On: PubMed — Wikipedia — Google
CAS Numbers: 211914-51-1 , [211914-51-1]
| 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) | 0.97 | -4.39 | -75.96 | 5 | 10 | 0 | 154 | 471.521 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Thrombin | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FA10-1-E | Coagulation Factor X (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3760 | 0.22 | Binding ≤ 10μM |
| PLMN-1-E | Plasminogen (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1695 | 0.23 | Binding ≤ 10μM |
| THRB-4-E | Prothrombin (cluster #4 Of 8), Eukaryotic | Eukaryotes | 9 | 0.32 | Binding ≤ 10μM |
| TRY1-1-E | Trypsin I (cluster #1 Of 5), Eukaryotic | Eukaryotes | 50 | 0.29 | Binding ≤ 10μM |
| TRY2-1-E | Trypsin II (cluster #1 Of 3), Eukaryotic | Eukaryotes | 50 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THRB_HUMAN | P00734 | Thrombin, Human | 4.5 | 0.33 | Binding ≤ 1μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 50.3 | 0.29 | Binding ≤ 1μM |
| TRY2_HUMAN | P07478 | Trypsin II, Human | 50.3 | 0.29 | Binding ≤ 1μM |
| FA10_HUMAN | P00742 | Coagulation Factor X, Human | 3760 | 0.22 | Binding ≤ 10μM |
| PLMN_HUMAN | P00747 | Plasminogen, Human | 1695 | 0.23 | Binding ≤ 10μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 4.5 | 0.33 | Binding ≤ 10μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 50.3 | 0.29 | Binding ≤ 10μM |
| TRY2_HUMAN | P07478 | Trypsin II, Human | 50.3 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Alpha-defensins | |
| Cell surface interactions at the vascular wall | |
| Cobalamin (Cbl, vitamin B12) transport and metabolism | |
| Collagen degradation | |
| Common Pathway | |
| Degradation of the extracellular matrix | |
| Dissolution of Fibrin Clot | |
| Extrinsic Pathway | |
| G alpha (q) signalling events | |
| Gamma-carboxylation of protein precursors | |
| Intrinsic Pathway | |
| Peptide ligand-binding receptors | |
| Platelet Aggregation (Plug Formation) | |
| Platelet degranulation | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Removal of aminoterminal propeptides from gamma-carboxylated proteins | |
| Signaling by PDGF | |
| Thrombin signalling through proteinase activated receptors (PARs) | |
| Transport of gamma-carboxylated protein precursors from the endoplasmic reticulu |
No pre-computed analogs available. Try a structural similarity search.