| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 6th, 2007 | 18 | No |
Popular Name: 1-(2-methyl-3-sulfanyl-propanoyl)indoline-2-carboxylic 1-(2-methyl-3-sulfanyl-propanoyl…
| 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) | 0.20 | 0.03 | -44.8 | 0 | 4 | -1 | 60 | 264.326 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.20 | -0.92 | -117.32 | 0 | 4 | -2 | 60 | 263.318 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.66 | Binding ≤ 10μM |
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.65 | Binding ≤ 10μM |
| ACE2-1-E | Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_RAT | P47820 | Angiotensin-converting Enzyme, Rat | 3.7 | 0.66 | Binding ≤ 1μM |
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 23 | 0.59 | Binding ≤ 1μM |
| ACE2_HUMAN | Q9BYF1 | Angiotensin-converting Enzyme 2, Human | 2.6 | 0.67 | Binding ≤ 1μM |
| ACE_RAT | P47820 | Angiotensin-converting Enzyme, Rat | 3.7 | 0.66 | Binding ≤ 10μM |
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 23 | 0.59 | Binding ≤ 10μM |
| ACE2_HUMAN | Q9BYF1 | Angiotensin-converting Enzyme 2, Human | 2.6 | 0.67 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
