| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2006 | 21 | 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) | 2.53 | 6.6 | -12.6 | 1 | 4 | 0 | 51 | 283.258 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Indications | anticancer | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA1A-1-E | Tubulin Alpha-3 Chain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 680 | 0.41 | Binding ≤ 10μM |
| TBB2B-2-E | Tubulin Beta Chain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 850 | 0.40 | Functional ≤ 10μM |
| Z80156-9-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #9 Of 12), Other | Other | 80 | 0.47 | Functional ≤ 10μM |
| Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 150 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA1A_PIG | P02550 | Tubulin Alpha Chain, Pig | 680 | 0.41 | Binding ≤ 1μM |
| TBA1A_PIG | P02550 | Tubulin Alpha Chain, Pig | 680 | 0.41 | Binding ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 150 | 0.45 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 80 | 0.47 | Functional ≤ 10μM |
| TBB2B_BOVIN | Q6B856 | Tubulin Beta Chain, Bovin | 850 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Formation of tubulin folding intermediates by CCT/TriC | |
| Gap junction assembly | |
| Kinesins | |
| MHC class II antigen presentation | |
| Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane | |
| Mitotic Prometaphase | |
| Post-chaperonin tubulin folding pathway | |
| Prefoldin mediated transfer of substrate to CCT/TriC | |
| Recruitment of NuMA to mitotic centrosomes | |
| Recycling pathway of L1 | |
| Resolution of Sister Chromatid Cohesion | |
| Separation of Sister Chromatids | |
| Translocation of GLUT4 to the plasma membrane |
No pre-computed analogs available. Try a structural similarity search.