| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2005 | 15 | Yes |
Popular Name: 6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine 6,7,8,9-tetrahydro-5H-cyclohepta…
| 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) | 2.58 | -2.66 | -7.12 | 2 | 3 | 0 | 52 | 219.313 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | -2.53 | -33.69 | 3 | 3 | 1 | 53 | 220.321 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | -2.53 | -27.66 | 3 | 3 | 1 | 53 | 220.321 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LIMK1-1-E | LIM Domain Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2500 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LIMK1_HUMAN | P53667 | LIM Domain Kinase 1, Human | 2500 | 0.52 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| EPHB-mediated forward signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Sema3A PAK dependent Axon repulsion | |
| Sema4D induced cell migration and growth-cone collapse |
