| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 15 | Yes |
Popular Name: (2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-yl-ethanone (2S)-2-amino-2-cyclohexyl-1-pyrr…
| 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) | 1.22 | 4.15 | -43.97 | 3 | 3 | 1 | 48 | 211.329 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 3.85 | -5.48 | 2 | 3 | 0 | 46 | 210.321 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-2-E | Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic | Eukaryotes | 64 | 0.67 | Binding ≤ 10μM |
| DPP4-2-E | Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic | Eukaryotes | 125 | 0.64 | Binding ≤ 10μM |
| DPP8-1-E | Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic | Eukaryotes | 78 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_MOUSE | P28843 | Dipeptidyl Peptidase IV, Mouse | 125 | 0.64 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 64 | 0.67 | Binding ≤ 1μM |
| DPP8_HUMAN | Q6V1X1 | Dipeptidyl Peptidase VIII, Human | 78 | 0.66 | Binding ≤ 1μM |
| DPP4_MOUSE | P28843 | Dipeptidyl Peptidase IV, Mouse | 125 | 0.64 | Binding ≤ 10μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 64 | 0.67 | Binding ≤ 10μM |
| DPP8_HUMAN | Q6V1X1 | Dipeptidyl Peptidase VIII, Human | 78 | 0.66 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
