| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2005 | 38 | No |
Popular Name: YM60828 YM60828
| 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) | 1.40 | -6.86 | -92.71 | 6 | 10 | 1 | 167 | 538.65 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000053264A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FA10-1-E | Coagulation Factor X (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.32 | Binding ≤ 10μM |
| THRB-4-E | Prothrombin (cluster #4 Of 8), Eukaryotic | Eukaryotes | 8 | 0.30 | Binding ≤ 10μM |
| TRY1-1-E | Trypsin I (cluster #1 Of 5), Eukaryotic | Eukaryotes | 159 | 0.25 | Binding ≤ 10μM |
| TRY2-1-E | Trypsin II (cluster #1 Of 3), Eukaryotic | Eukaryotes | 63 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FA10_HUMAN | P00742 | Coagulation Factor X, Human | 1.3 | 0.33 | Binding ≤ 1μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 7.7 | 0.30 | Binding ≤ 1μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 159 | 0.25 | Binding ≤ 1μM |
| TRY2_RAT | P00763 | Trypsin II, Rat | 63 | 0.27 | Binding ≤ 1μM |
| FA10_HUMAN | P00742 | Coagulation Factor X, Human | 1.3 | 0.33 | Binding ≤ 10μM |
| THRB_HUMAN | P00734 | Thrombin, Human | 7.7 | 0.30 | Binding ≤ 10μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 159 | 0.25 | Binding ≤ 10μM |
| TRY2_RAT | P00763 | Trypsin II, Rat | 63 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Alpha-defensins | |
| 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.