| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 25 | No |
Popular Name: Enalaprilat Enalaprilat
Find On: PubMed — Wikipedia — Google
CAS Numbers: 76420-72-9 , 84680-54-6 , [76420-72-9] , [84680-54-6]
1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE
1-(N-((S)-1-Carboxy-3-phenylpropyl)-L-alanyl)-L-proline dihydrate
76420-72-9; C11720; Enalaprilat; Enalaprilate
84680-54-6; D03769; Enalaprilat (USP); Vasotec (TN)
CPD000466359; ENALAPRILAT; SAM001246684
N-[(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl-L-proline
N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl-L-proline--water (1/2)
| 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) | -1.94 | 9.43 | -69.84 | 2 | 7 | -1 | 117 | 347.391 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | ACE2_HUMAN; ACE2_RAT; ACER_DROME; ACE_DROME; ACE_HUMAN; ACE_MOUSE | ChEBI |
| Therapy | antihypertensive | SMDC Pharmakon |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP010855e | NIH Clinical Collection via PubChem |
| Target | RAAS | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP010855e | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.50 | Binding ≤ 10μM |
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.50 | Binding ≤ 10μM |
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.49 | Binding ≤ 10μM |
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.46 | Binding ≤ 10μM |
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.46 | Binding ≤ 10μM |
| ACE2-1-E | Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.46 | Binding ≤ 10μM |
| ACE2-1-E | Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.46 | Binding ≤ 10μM |
| RENI-1-E | Renin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_RABIT | P12822 | Angiotensin-converting Enzyme, Rabit | 8.8 | 0.45 | Binding ≤ 1μM |
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 1.2 | 0.50 | Binding ≤ 1μM |
| ACE_RAT | P47820 | Angiotensin-converting Enzyme, Rat | 2.3 | 0.48 | Binding ≤ 1μM |
| ACE2_HUMAN | Q9BYF1 | Angiotensin-converting Enzyme 2, Human | 5.7 | 0.46 | Binding ≤ 1μM |
| ACE2_RAT | Q5EGZ1 | Angiotensin-converting Enzyme-related Carboxypeptidase, Rat | 0.5 | 0.52 | Binding ≤ 1μM |
| RENI_HUMAN | P00797 | Renin, Human | 1.2 | 0.50 | Binding ≤ 1μM |
| ACE_RAT | P47820 | Angiotensin-converting Enzyme, Rat | 2.3 | 0.48 | Binding ≤ 10μM |
| ACE_RABIT | P12822 | Angiotensin-converting Enzyme, Rabit | 8.8 | 0.45 | Binding ≤ 10μM |
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 1.2 | 0.50 | Binding ≤ 10μM |
| ACE2_HUMAN | Q9BYF1 | Angiotensin-converting Enzyme 2, Human | 5.7 | 0.46 | Binding ≤ 10μM |
| ACE2_RAT | Q5EGZ1 | Angiotensin-converting Enzyme-related Carboxypeptidase, Rat | 0.5 | 0.52 | Binding ≤ 10μM |
| RENI_HUMAN | P00797 | Renin, Human | 1.2 | 0.50 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
