| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 27 | No |
Popular Name: (3R)-6-cyclohexyl-3-[3-(3-pyridylmethyl)-1,2,4-oxadiazol-5-yl]hexanehydroxamic (3R)-6-cyclohexyl-3-[3-(3-pyridy…
| 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) | 3.31 | 6.25 | -22.57 | 2 | 7 | 0 | 101 | 372.469 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | 6.69 | -46.31 | 3 | 7 | 1 | 102 | 373.477 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BMP1-1-E | Bone Morphogenetic Protein 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BMP1_HUMAN | P13497 | Bone Morphogenetic Protein 1, Human | 6 | 0.43 | Binding ≤ 1μM |
| BMP1_HUMAN | P13497 | Bone Morphogenetic Protein 1, Human | 6 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Anchoring fibril formation | |
| Collagen biosynthesis and modifying enzymes | |
| Crosslinking of collagen fibrils | |
| Degradation of the extracellular matrix |
