| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 27 | No |
Popular Name: Rostafuroxin Rostafuroxin
Find On: PubMed — Wikipedia — Google
CAS Number: 156722-18-8
| 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) | 3.28 | -3.02 | -5.88 | 3 | 4 | 0 | 73 | 374.521 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AT12A-1-E | Potassium-transporting ATPase Alpha Chain 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1500 | 0.30 | Binding ≤ 10μM |
| AT1A1-2-E | Sodium/potassium-transporting ATPase Alpha-1 Chain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.30 | Binding ≤ 10μM |
| AT1A2-2-E | Sodium/potassium-transporting ATPase Alpha-2 Chain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.30 | Binding ≤ 10μM |
| AT1A3-2-E | Sodium/potassium-transporting ATPase Alpha-3 Chain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.30 | Binding ≤ 10μM |
| AT1A4-2-E | Sodium/potassium-transporting ATPase Alpha-4 Chain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AT12A_HUMAN | P54707 | Potassium-transporting ATPase Alpha Chain 2, Human | 1500 | 0.30 | Binding ≤ 10μM |
| AT1A1_HUMAN | P05023 | Sodium/potassium-transporting ATPase Alpha-1 Chain, Human | 1500 | 0.30 | Binding ≤ 10μM |
| AT1A2_HUMAN | P50993 | Sodium/potassium-transporting ATPase Alpha-2 Chain, Human | 1500 | 0.30 | Binding ≤ 10μM |
| AT1A3_HUMAN | P13637 | Sodium/potassium-transporting ATPase Alpha-3 Chain, Human | 1500 | 0.30 | Binding ≤ 10μM |
| AT1A4_HUMAN | Q13733 | Sodium/potassium-transporting ATPase Alpha-4 Chain, Human | 1500 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Ion transport by P-type ATPases |
No pre-computed analogs available. Try a structural similarity search.