| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 30 | No |
Popular Name: 3-cyclohexyl-1-[(4R)-5-(hydroxyamino)-4-[(4-methoxyphenyl)sulfonylamino]-5-oxo-pentyl]urea 3-cyclohexyl-1-[(4R)-5-(hydroxya…
| 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) | 1.72 | 0.01 | -30.27 | 5 | 10 | 0 | 146 | 442.538 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 1.23 | -72.03 | 4 | 10 | -1 | 149 | 441.53 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BMP1-1-E | Bone Morphogenetic Protein 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 230 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BMP1_HUMAN | P13497 | Bone Morphogenetic Protein 1, Human | 230 | 0.31 | Binding ≤ 1μM |
| BMP1_HUMAN | P13497 | Bone Morphogenetic Protein 1, Human | 230 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Anchoring fibril formation | |
| Collagen biosynthesis and modifying enzymes | |
| Crosslinking of collagen fibrils | |
| Degradation of the extracellular matrix |
