| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2009 | 17 | Yes |
Popular Name: (2S)-1-[(2R)-2-amino-2-cyclohexyl-acetyl]pyrrolidine-2-carbonitrile (2S)-1-[(2R)-2-amino-2-cyclohexy…
| 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) | 0.99 | 4.61 | -49.91 | 3 | 4 | 1 | 72 | 236.339 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 4.32 | -11.99 | 2 | 4 | 0 | 70 | 235.331 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-2-E | Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1 | 0.74 | Binding ≤ 10μM |
| DPP4-2-E | Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic | Eukaryotes | 12 | 0.65 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 1.4 | 0.73 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 1.4 | 0.73 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
