| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 22 | Yes |
| 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) | -0.38 | 4.95 | -65.32 | 3 | 7 | 1 | 109 | 299.358 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.38 | 3.53 | -18.36 | 2 | 7 | 0 | 105 | 298.35 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP2-2-E | Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6600 | 0.33 | Binding ≤ 10μM |
| DPP4-1-E | Dipeptidyl Peptidase IV (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7 | 0.52 | Binding ≤ 10μM |
| DPP8-1-E | Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4573 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 1.4 | 0.56 | Binding ≤ 1μM |
| DPP4_RAT | P14740 | Dipeptidyl Peptidase IV, Rat | 2.3 | 0.55 | Binding ≤ 1μM |
| DPP2_HUMAN | Q9UHL4 | Dipeptidyl Peptidase II, Human | 6600 | 0.33 | Binding ≤ 10μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 1.4 | 0.56 | Binding ≤ 10μM |
| DPP4_RAT | P14740 | Dipeptidyl Peptidase IV, Rat | 2.3 | 0.55 | Binding ≤ 10μM |
| DPP8_HUMAN | Q6V1X1 | Dipeptidyl Peptidase VIII, Human | 4573 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
