| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2009 | 20 | Yes |
| 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) | 3.83 | 8.47 | -43.78 | 2 | 3 | 1 | 29 | 270.4 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 8.92 | -82.11 | 3 | 3 | 2 | 31 | 271.408 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ROCK1-2-E | Rho-associated Protein Kinase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 345 | 0.45 | Binding ≤ 10μM |
| ROCK2-2-E | Rho-associated Protein Kinase 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 345 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ROCK1_HUMAN | Q13464 | Rho-associated Protein Kinase 1, Human | 345 | 0.45 | Binding ≤ 1μM |
| ROCK2_HUMAN | O75116 | Rho-associated Protein Kinase 2, Human | 345 | 0.45 | Binding ≤ 1μM |
| ROCK1_HUMAN | Q13464 | Rho-associated Protein Kinase 1, Human | 345 | 0.45 | Binding ≤ 10μM |
| ROCK2_HUMAN | O75116 | Rho-associated Protein Kinase 2, Human | 345 | 0.45 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Apoptotic cleavage of cellular proteins | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| G alpha (12/13) signalling events | |
| Sema4D induced cell migration and growth-cone collapse | |
| VEGFA-VEGFR2 Pathway |
