| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 24 | No |
Popular Name: (2S)-1-[(2R)-2-[(hydroxy-phenethyl-phosphoryl)amino]propanoyl]pyrrolidine-2-carboxylic (2S)-1-[(2R)-2-[(hydroxy-pheneth…
None
| 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 | 6.4 | -71.37 | 2 | 7 | -1 | 117 | 353.335 | 7 | ↓ |
| Hi High (pH 8-9.5) | -1.20 | 6.12 | -123.95 | 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 | 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 | 25.1188643 | 0.44 | Binding ≤ 1μM |
| THER_BACTH | P00800 | Thermolysin, Bacth | 7 | 0.48 | Binding ≤ 1μM |
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 25.1188643 | 0.44 | Binding ≤ 10μM |
| THER_BACTH | P00800 | Thermolysin, Bacth | 7 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
