| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 14 | Yes |
Popular Name: (2S,3R)-2-amino-1-[(1R,5S)-4-azabicyclo[3.1.0]hexan-4-yl]-3-methyl-pentan-1-one (2S,3R)-2-amino-1-[(1R,5S)-4-aza…
| 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) | 0.88 | 3.74 | -42.82 | 3 | 3 | 1 | 48 | 197.302 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 3.45 | -5.43 | 2 | 3 | 0 | 46 | 196.294 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-2-E | Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic | Eukaryotes | 731 | 0.61 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 731 | 0.61 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 731 | 0.61 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
