| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 24 | Yes |
Popular Name: (2S)-1-[(2S,4S)-4-(2-adamantyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile (2S)-1-[(2S,4S)-4-(2-adamantyl)p…
| 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) | 4.17 | 8.59 | -52.81 | 2 | 4 | 1 | 61 | 328.48 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.17 | 7.29 | -15.13 | 1 | 4 | 0 | 56 | 327.472 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-2-E | Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic | Eukaryotes | 8 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 7.8 | 0.47 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 7.8 | 0.47 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
