| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 1st, 2009 | 32 | Yes |
Popular Name: Betrixaban Betrixaban
Find On: PubMed — Wikipedia — Google
CAS Numbers: 330942-05-7 , [330942-05-7]
| 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) | 2.66 | 8.66 | -41.9 | 4 | 8 | 1 | 109 | 452.922 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FA10-1-E | Coagulation Factor X (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.38 | Binding ≤ 10μM |
| KCNH2-1-E | HERG (cluster #1 Of 5), Eukaryotic | Eukaryotes | 8900 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FA10_HUMAN | P00742 | Coagulation Factor X, Human | 0.117 | 0.43 | Binding ≤ 1μM |
| FA10_HUMAN | P00742 | Coagulation Factor X, Human | 0.117 | 0.43 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 1800 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Common Pathway | |
| Extrinsic Pathway | |
| Gamma-carboxylation of protein precursors | |
| Intrinsic Pathway | |
| Removal of aminoterminal propeptides from gamma-carboxylated proteins | |
| Transport of gamma-carboxylated protein precursors from the endoplasmic reticulu | |
| Voltage gated Potassium channels |
No pre-computed analogs available. Try a structural similarity search.