| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 25 | Yes |
Popular Name: (6R)-N,N-diethyl-6-methyl-2-(2-thenoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-N,N-diethyl-6-methyl-2-(2-t…
| 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) | 3.81 | -0.22 | -11.08 | 1 | 4 | 0 | 49 | 376.547 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11-1-E | Kinesin-like Protein 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5900 | 0.29 | Binding ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 6100 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11_HUMAN | P52732 | Kinesin-like Protein 1, Human | 2600 | 0.31 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 6100 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Kinesins | |
| MHC class II antigen presentation |
