| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2006 | 21 | No |
Popular Name: DNC012015 DNC012015
| 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) | -1.23 | 3.01 | -61.22 | 3 | 7 | -1 | 119 | 293.299 | 7 | ↓ |
| Hi High (pH 8-9.5) | -1.23 | 4.26 | -116.92 | 2 | 7 | -2 | 121 | 292.291 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.33e-01 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPB-1-E | Aminopeptidase B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7 | 0.54 | Binding ≤ 10μM |
| AMPE-2-E | Aminopeptidase A (cluster #2 Of 2), Eukaryotic | Eukaryotes | 380 | 0.43 | Binding ≤ 10μM |
| AMPN-2-E | Aminopeptidase N (cluster #2 Of 5), Eukaryotic | Eukaryotes | 7 | 0.54 | Binding ≤ 10μM |
| AMPN-2-E | Aminopeptidase N (cluster #2 Of 5), Eukaryotic | Eukaryotes | 380 | 0.43 | Binding ≤ 10μM |
| DPP2-2-E | Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.60 | Binding ≤ 10μM |
| DPP3-1-E | Dipeptidyl Peptidase III (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.60 | Binding ≤ 10μM |
| DPP3-1-E | Dipeptidyl Peptidase III (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.58 | Binding ≤ 10μM |
| DPP4-2-E | Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1 | 0.60 | Binding ≤ 10μM |
| DPP4-2-E | Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2 | 0.58 | Binding ≤ 10μM |
| DPP6-1-E | Dipeptidyl Peptidase VI (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.60 | Binding ≤ 10μM |
| ECE1-1-E | Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.54 | Binding ≤ 10μM |
| LKHA4-1-E | Leukotriene A4 Hydrolase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.55 | Binding ≤ 10μM |
| NEP-2-E | Neprilysin (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2 | 0.58 | Binding ≤ 10μM |
| NEP-2-E | Neprilysin (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8 | 0.54 | Binding ≤ 10μM |
| THER-1-B | Thermolysin (cluster #1 Of 3), Bacterial | Bacteria | 3 | 0.57 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPE_PIG | Q95334 | Aminopeptidase A, Pig | 380 | 0.43 | Binding ≤ 1μM |
| AMPE_HUMAN | Q07075 | Aminopeptidase A, Human | 7 | 0.54 | Binding ≤ 1μM |
| AMPB_HUMAN | Q9H4A4 | Aminopeptidase B, Human | 7 | 0.54 | Binding ≤ 1μM |
| AMPN_PIG | P15145 | Aminopeptidase N, Pig | 2.9 | 0.57 | Binding ≤ 1μM |
| AMPN_HUMAN | P15144 | Aminopeptidase N, Human | 7 | 0.54 | Binding ≤ 1μM |
| DPP2_RAT | Q9EPB1 | Dipeptidyl Peptidase II, Rat | 0.9 | 0.60 | Binding ≤ 1μM |
| DPP3_RAT | O55096 | Dipeptidyl Peptidase III, Rat | 1 | 0.60 | Binding ≤ 1μM |
| DPP4_RAT | P14740 | Dipeptidyl Peptidase IV, Rat | 1 | 0.60 | Binding ≤ 1μM |
| DPP6_RAT | P46101 | Dipeptidyl Peptidase VI, Rat | 0.9 | 0.60 | Binding ≤ 1μM |
| ECE1_HUMAN | P42892 | Endothelin-converting Enzyme 1, Human | 8 | 0.54 | Binding ≤ 1μM |
| LKHA4_HUMAN | P09960 | Leukotriene A4 Hydrolase, Human | 10 | 0.53 | Binding ≤ 1μM |
| NEP_HUMAN | P08473 | Neprilysin, Human | 1 | 0.60 | Binding ≤ 1μM |
| NEP_RAT | P07861 | Neprilysin, Rat | 1.8 | 0.58 | Binding ≤ 1μM |
| THER_BACTH | P00800 | Thermolysin, Bacth | 3 | 0.57 | Binding ≤ 1μM |
| AMPE_PIG | Q95334 | Aminopeptidase A, Pig | 380 | 0.43 | Binding ≤ 10μM |
| AMPE_HUMAN | Q07075 | Aminopeptidase A, Human | 7 | 0.54 | Binding ≤ 10μM |
| AMPB_HUMAN | Q9H4A4 | Aminopeptidase B, Human | 7 | 0.54 | Binding ≤ 10μM |
| AMPN_PIG | P15145 | Aminopeptidase N, Pig | 2.9 | 0.57 | Binding ≤ 10μM |
| AMPN_HUMAN | P15144 | Aminopeptidase N, Human | 7 | 0.54 | Binding ≤ 10μM |
| DPP2_RAT | Q9EPB1 | Dipeptidyl Peptidase II, Rat | 0.9 | 0.60 | Binding ≤ 10μM |
| DPP3_RAT | O55096 | Dipeptidyl Peptidase III, Rat | 1 | 0.60 | Binding ≤ 10μM |
| DPP4_RAT | P14740 | Dipeptidyl Peptidase IV, Rat | 1 | 0.60 | Binding ≤ 10μM |
| DPP6_RAT | P46101 | Dipeptidyl Peptidase VI, Rat | 0.9 | 0.60 | Binding ≤ 10μM |
| ECE1_HUMAN | P42892 | Endothelin-converting Enzyme 1, Human | 8 | 0.54 | Binding ≤ 10μM |
| LKHA4_HUMAN | P09960 | Leukotriene A4 Hydrolase, Human | 10 | 0.53 | Binding ≤ 10μM |
| NEP_HUMAN | P08473 | Neprilysin, Human | 1 | 0.60 | Binding ≤ 10μM |
| NEP_RAT | P07861 | Neprilysin, Rat | 1.8 | 0.58 | Binding ≤ 10μM |
| THER_BACTH | P00800 | Thermolysin, Bacth | 3 | 0.57 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) |
No pre-computed analogs available. Try a structural similarity search.