| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 20th, 2006 | 27 | No |
Popular Name: 2-amino-3-[(4-bromophenyl)-diphenyl-methyl]sulfanyl-propanoic 2-amino-3-[(4-bromophenyl)-diphe…
| 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) | 3.14 | -1.66 | -39.34 | 3 | 3 | 0 | 67 | 442.378 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11-2-E | Kinesin-like Protein 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 27 | 0.39 | Binding ≤ 10μM |
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 450 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11_HUMAN | P52732 | Kinesin-like Protein 1, Human | 26.8 | 0.39 | Binding ≤ 1μM |
| KIF11_HUMAN | P52732 | Kinesin-like Protein 1, Human | 26.8 | 0.39 | Binding ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 310 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Kinesins | |
| MHC class II antigen presentation |
