| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | No |
Popular Name: (2-fluorophenyl)-(5-methyl-3-nitro-pyrazol-1-yl)methanone (2-fluorophenyl)-(5-methyl-3-nit…
| 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) | 2.28 | 3.32 | -8.08 | 0 | 6 | 0 | 80 | 249.201 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE-1-E | Neutrophil Elastase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 107 | 0.54 | Binding ≤ 10μM |
| KLKB1-1-E | Plasma Kallikrein (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4400 | 0.42 | Binding ≤ 10μM |
| THRB-1-E | Prothrombin (cluster #1 Of 8), Eukaryotic | Eukaryotes | 2800 | 0.43 | Binding ≤ 10μM |
| UROK-2-E | Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1500 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 107 | 0.54 | Binding ≤ 1μM |
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 107 | 0.54 | Binding ≤ 10μM |
| KLKB1_HUMAN | P03952 | Plasma Kallikrein, Human | 4400 | 0.42 | Binding ≤ 10μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 2800 | 0.43 | Binding ≤ 10μM |
| UROK_HUMAN | P00749 | Urokinase-type Plasminogen Activator, Human | 1500 | 0.45 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Cell surface interactions at the vascular wall | |
| Collagen degradation | |
| Common Pathway | |
| Degradation of the extracellular matrix | |
| Dissolution of Fibrin Clot | |
| 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 |
No pre-computed analogs available. Try a structural similarity search.