| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 17 | No |
| 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) | 0.25 | 5.62 | -41.1 | 1 | 4 | -1 | 69 | 252.315 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.45e-01 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 420 | 0.53 | Binding ≤ 10μM |
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 860 | 0.50 | Binding ≤ 10μM |
| ACE2-1-E | Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 420 | 0.53 | Binding ≤ 10μM |
| ECE1-1-E | Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.67 | Binding ≤ 10μM |
| NEP-2-E | Neprilysin (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2 | 0.72 | Binding ≤ 10μM |
| NEP-2-E | Neprilysin (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6 | 0.68 | Binding ≤ 10μM |
| NEP-1-E | Neprilysin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.72 | Functional ≤ 10μM |
| THER-1-B | Thermolysin (cluster #1 Of 3), Bacterial | Bacteria | 1800 | 0.47 | Binding ≤ 10μM |
| THER-1-B | Thermolysin (cluster #1 Of 3), Bacterial | Bacteria | 9500 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 140 | 0.56 | Binding ≤ 1μM |
| ACE2_HUMAN | Q9BYF1 | Angiotensin-converting Enzyme 2, Human | 420 | 0.53 | Binding ≤ 1μM |
| ECE1_HUMAN | P42892 | Endothelin-converting Enzyme 1, Human | 8 | 0.67 | Binding ≤ 1μM |
| NEP_HUMAN | P08473 | Neprilysin, Human | 20 | 0.63 | Binding ≤ 1μM |
| NEP_RAT | P07861 | Neprilysin, Rat | 1.5 | 0.73 | Binding ≤ 1μM |
| NEP_PIG | P19621 | Neprilysin, Pig | 6.2 | 0.68 | Binding ≤ 1μM |
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 140 | 0.56 | Binding ≤ 10μM |
| ACE2_HUMAN | Q9BYF1 | Angiotensin-converting Enzyme 2, Human | 420 | 0.53 | Binding ≤ 10μM |
| ECE1_HUMAN | P42892 | Endothelin-converting Enzyme 1, Human | 8 | 0.67 | Binding ≤ 10μM |
| NEP_PIG | P19621 | Neprilysin, Pig | 6.2 | 0.68 | Binding ≤ 10μM |
| NEP_HUMAN | P08473 | Neprilysin, Human | 20 | 0.63 | Binding ≤ 10μM |
| NEP_RAT | P07861 | Neprilysin, Rat | 1.5 | 0.73 | Binding ≤ 10μM |
| THER_BACTH | P00800 | Thermolysin, Bacth | 1800 | 0.47 | Binding ≤ 10μM |
| NEP_RAT | P07861 | Neprilysin, Rat | 1.9 | 0.72 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
