| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 29 | No |
Popular Name: Lisinopril Lisinopril
Find On: PubMed — Wikipedia — Google
CAS Numbers: 76547-98-3 , 83915-83-7 , 83915-83-7, 76547-98-3 [a , 83915-83-7, 76547-98-3 [anhydrous] , [83915-83-7]
(S)-1-(N(2)-(1-carboxy-3-phenylpropyl)-L-lysyl)-L-proline
(S)-1-(N(2)-(1-carboxy-3-phenylpropyl)-L-lysyl)-L-proline; lisinopril anhydrous
(S)-1-(N(sup 2)-(1-Carboxy-3-phenylpropyl)-L-lysyl)-L-proline
(S)-1-(N2-(1-Carboxy-3-phenylpropyl)-L-lysyl)-L-proline
(S)-1-[(S)-6-Amino-2-((S)-1-carboxy-3-phenyl-propylamino)-hexanoyl]-pyrrolidine-2-carboxylic acid
1-(N2-(1-Carboxy-3-phenylpropyl)-L-lysyl)-L-proline
1-[Nalpha-[(S)-1-Carboxy-3-phenylpropyl]-L-lysyl]-L-proline
76547-98-3; D08131; Lisinopril (INN); Zestril (TN)
83915-83-7; Lisinopril; Prestwick_613
C21H31N3O5.C7H8ClN3O4S2.2H2O; HYDROCHLOROTHIAZIDE; LISINOPRIL; LS-178630; PRINZIDE; ZESTORETIC
L-Proline, 1-(N(sup 2)-(1-carboxy-3-phenylpropyl)-L-lysyl)-, (S)-
L-Proline, 1-(N2-(1-carboxy-3-phenylpropyl)-L-lysyl)-
L-Proline, N2-((1S)-1-carboxy-3-phenylpropyl)-L-lysyl-
L-Proline, N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-
N(2)-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline
N-(1(S)-Carboxy-3-phenylpropyl)-L-lysyl-L-proline
N2-((S)-1-Carboxy-3-phenylpropyl)-L-lysyl-L-proline
| 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) | -2.43 | 9.2 | -106.06 | 5 | 8 | 0 | 145 | 405.495 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 148 | TCI |
| ALOGPS_SOLUBILITY | 2.16e-01 g/l | DrugBank-approved |
| Purity | >95% | Matrix Scientific |
| mechanism | ACE inhibitor | IBScreen Bioactives IBScreen Bioactives |
| UniProt Database Links | ACER_DROME; ACE_DROME; ACE_HUMAN; ACE_MOUSE; ACE_RABIT; ACE_THETS | ChEBI |
| mechanism | Angiotensin antagonist | IBScreen Bioactives |
| Indications | antihypertensive | KeyOrganics Bioactives |
| biological_use | Antihypertensive agent | IBScreen Bioactives |
| Patent Database Links | EP0795327; EP1479666; EP1514543; EP1533292; EP1541175; EP1553091; EP1559424; EP1579862; EP1579873; EP1602334; EP1611886; EP1625855; EP1627638; EP1656941; EP1669345; EP1671632; EP1717226; EP1723962; EP1741713; EP1746099; EP1776954; EP1785144; EP1790340; EP | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| Target | RAAS | Selleck Chemicals |
| Patent Database Links | WO2007134870 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.43 | Binding ≤ 10μM |
| ACE2-1-E | Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_RAT | P47820 | Angiotensin-converting Enzyme, Rat | 1.2 | 0.43 | Binding ≤ 1μM |
| ACE_RABIT | P12822 | Angiotensin-converting Enzyme, Rabit | 51 | 0.35 | Binding ≤ 1μM |
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 0.1 | 0.48 | Binding ≤ 1μM |
| ACE2_RAT | Q5EGZ1 | Angiotensin-converting Enzyme-related Carboxypeptidase, Rat | 1.2 | 0.43 | Binding ≤ 1μM |
| ACE_RAT | P47820 | Angiotensin-converting Enzyme, Rat | 1.2 | 0.43 | Binding ≤ 10μM |
| ACE_RABIT | P12822 | Angiotensin-converting Enzyme, Rabit | 51 | 0.35 | Binding ≤ 10μM |
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 0.1 | 0.48 | Binding ≤ 10μM |
| ACE2_RAT | Q5EGZ1 | Angiotensin-converting Enzyme-related Carboxypeptidase, Rat | 1.2 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
