| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2008 | 39 | Yes |
Popular Name: Purmorphamine Purmorphamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 483367-10-8 , [483367-10-8]
| 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) | 7.90 | 13.45 | -15.01 | 1 | 8 | 0 | 77 | 520.637 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Hedgehog/Smoothened | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SHH-1-E | Sonic Hedgehog Protein (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.22 | Binding ≤ 10μM |
| SMO-1-E | Smoothened Homolog (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1500 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SHH_MOUSE | Q62226 | Sonic Hedgehog Protein, Mouse | 1000 | 0.22 | Binding ≤ 1μM |
| SMO_HUMAN | Q99835 | Smoothened Homolog, Human | 1500 | 0.21 | Binding ≤ 10μM |
| SHH_MOUSE | Q62226 | Sonic Hedgehog Protein, Mouse | 1000 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class B/2 (Secretin family receptors) | |
| Hedgehog ligand biogenesis | |
| Hh ligand biogenesis disease | |
| Release of Hh-Np from the secreting cell |
