| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2006 | 24 | No |
Popular Name: 1-[2-(hydroxy-phenethyl-phosphoryl)aminopropanoyl]pyrrolidine-2-carboxylic 1-[2-(hydroxy-phenethyl-phosphor…
| 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) | -1.20 | 5.91 | -114.48 | 1 | 7 | -2 | 113 | 352.327 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.53 | Binding ≤ 10μM |
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.48 | Binding ≤ 10μM |
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 25 | 0.44 | Binding ≤ 10μM |
| THER-1-B | Thermolysin (cluster #1 Of 3), Bacterial | Bacteria | 7 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 0.5 | 0.54 | Binding ≤ 1μM |
| THER_BACTH | P00800 | Thermolysin, Bacth | 7 | 0.48 | Binding ≤ 1μM |
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 0.5 | 0.54 | Binding ≤ 10μM |
| THER_BACTH | P00800 | Thermolysin, Bacth | 7 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
