| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 16th, 2008 | 12 | Yes |
Popular Name: 6,7-Dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione 6,7-Dihydro-1H,5H-pyrrolo[2,3-c]…
Find On: PubMed — Wikipedia — Google
CAS Number: 72908-87-3
| 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) | -0.13 | 0.54 | -13.58 | 2 | 4 | 0 | 62 | 164.164 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MP2K1-4-E | Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 2500 | 0.65 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 2500 | 0.65 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ERK1 activation | |
| Interleukin-1 signaling | |
| MEK activation | |
| RAF phosphorylates MEK | |
| Signal transduction by L1 | |
| Signaling by FGFR | |
| Uptake and function of anthrax toxins |
No pre-computed analogs available. Try a structural similarity search.