| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2009 | 24 | Yes |
Popular Name: 2-[[6-[(3R)-3-amino-1-piperidyl]-2,4-dioxo-pyrimidin-1-yl]methyl]benzonitrile 2-[[6-[(3R)-3-amino-1-piperidyl]…
| 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) | 0.18 | 5 | -76.38 | 4 | 7 | 1 | 110 | 326.38 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-1-E | Dipeptidyl Peptidase IV (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 4 | 0.49 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 4 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
