| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 36 | Yes |
Popular Name: 1-[2,6-bis(3-carbamimidoylphenoxy)-3-pyridyl]-3-phenyl-urea 1-[2,6-bis(3-carbamimidoylphenox…
| 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) | 2.77 | 5.16 | -85.63 | 10 | 10 | 2 | 176 | 483.532 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 5.63 | -150.34 | 11 | 10 | 3 | 177 | 484.54 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FA10-1-E | Coagulation Factor X (cluster #1 Of 2), Eukaryotic | Eukaryotes | 62 | 0.28 | Binding ≤ 10μM |
| THRB-4-E | Prothrombin (cluster #4 Of 8), Eukaryotic | Eukaryotes | 3400 | 0.21 | Binding ≤ 10μM |
| TRY1-1-E | Trypsin I (cluster #1 Of 5), Eukaryotic | Eukaryotes | 100 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FA10_HUMAN | P00742 | Coagulation Factor X, Human | 62 | 0.28 | Binding ≤ 1μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 100 | 0.27 | Binding ≤ 1μM |
| FA10_HUMAN | P00742 | Coagulation Factor X, Human | 62 | 0.28 | Binding ≤ 10μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 3400 | 0.21 | Binding ≤ 10μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 100 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Cell surface interactions at the vascular wall | |
| Cobalamin (Cbl, vitamin B12) transport and metabolism | |
| Common Pathway | |
| Extrinsic 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 |
No pre-computed analogs available. Try a structural similarity search.
