| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 18 | Yes |
Popular Name: DNC014544 DNC014544
| 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) | 4.24 | 1.15 | -8.83 | 0 | 3 | 0 | 43 | 349.127 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| C1R-1-E | Complement C1r (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1400 | 0.46 | Binding ≤ 10μM |
| C1S-1-E | Complement C1s (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1250 | 0.46 | Binding ≤ 10μM |
| KLK1-1-E | Kallikrein 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9890 | 0.39 | Binding ≤ 10μM |
| PLMN-1-E | Plasminogen (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6680 | 0.40 | Binding ≤ 10μM |
| THRB-4-E | Prothrombin (cluster #4 Of 8), Eukaryotic | Eukaryotes | 510 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THRB_HUMAN | P00734 | Thrombin, Human | 510 | 0.49 | Binding ≤ 1μM |
| C1R_HUMAN | P00736 | Complement C1r, Human | 1370 | 0.46 | Binding ≤ 10μM |
| C1S_HUMAN | P09871 | Complement C1s, Human | 1250 | 0.46 | Binding ≤ 10μM |
| KLK1_HUMAN | P06870 | Kallikrein 1, Human | 9890 | 0.39 | Binding ≤ 10μM |
| PLMN_HUMAN | P00747 | Plasminogen, Human | 6680 | 0.40 | Binding ≤ 10μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 510 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Cell surface interactions at the vascular wall | |
| Classical antibody-mediated complement activation | |
| Common Pathway | |
| Degradation of the extracellular matrix | |
| Dissolution of Fibrin Clot | |
| G alpha (q) signalling events | |
| Gamma-carboxylation of protein precursors | |
| Initial triggering of complement | |
| 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.