| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 26 | Yes |
Popular Name: 1-[(1R)-6-chloro-1-(1H-indol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone 1-[(1R)-6-chloro-1-(1H-indol-3-y…
| 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) | 4.12 | 10.03 | -14.67 | 2 | 4 | 0 | 52 | 363.848 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11-1-E | Kinesin-like Protein 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 337 | 0.35 | Binding ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 9800 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11_HUMAN | P52732 | Kinesin-like Protein 1, Human | 337 | 0.35 | Binding ≤ 1μM |
| KIF11_HUMAN | P52732 | Kinesin-like Protein 1, Human | 337 | 0.35 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 9800 | 0.27 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Kinesins | |
| MHC class II antigen presentation |
