| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 25 | Yes |
Popular Name: (2S)-2-amino-6-(benzylamino)-1-isoindolin-2-yl-hexan-1-one (2S)-2-amino-6-(benzylamino)-1-i…
| 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) | 1.74 | 8.45 | -115.79 | 5 | 4 | 2 | 65 | 339.483 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 8.11 | -52.39 | 4 | 4 | 1 | 63 | 338.475 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP2-2-E | Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 117 | 0.39 | Binding ≤ 10μM |
| DPP8-1-E | Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic | Eukaryotes | 111 | 0.39 | Binding ≤ 10μM |
| DPP9-1-E | Dipeptidyl Peptidase IX (cluster #1 Of 2), Eukaryotic | Eukaryotes | 200 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP2_HUMAN | Q9UHL4 | Dipeptidyl Peptidase II, Human | 117 | 0.39 | Binding ≤ 1μM |
| DPP9_HUMAN | Q86TI2 | Dipeptidyl Peptidase IX, Human | 200 | 0.38 | Binding ≤ 1μM |
| DPP8_HUMAN | Q6V1X1 | Dipeptidyl Peptidase VIII, Human | 111 | 0.39 | Binding ≤ 1μM |
| DPP2_HUMAN | Q9UHL4 | Dipeptidyl Peptidase II, Human | 117 | 0.39 | Binding ≤ 10μM |
| DPP9_HUMAN | Q86TI2 | Dipeptidyl Peptidase IX, Human | 200 | 0.38 | Binding ≤ 10μM |
| DPP8_HUMAN | Q6V1X1 | Dipeptidyl Peptidase VIII, Human | 111 | 0.39 | Binding ≤ 10μM |
