| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 31 | Yes |
Popular Name: N-(3,5-dimethoxyphenyl)-3-(5-(3-methoxyphenylamino)-4H-1,2,4-triazol-3-yl)pyridin-2-amine N-(3,5-dimethoxyphenyl)-3-(5-(3-…
Find On: PubMed — Wikipedia — Google
CAS Number: 712276-97-6
| 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) | 4.94 | 10.32 | -13.86 | 3 | 9 | 0 | 106 | 418.457 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.94 | 10.5 | -30.22 | 4 | 9 | 1 | 107 | 419.465 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA4A-1-E | Tubulin Alpha-1 Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.32 | Binding ≤ 10μM |
| TBB1-1-E | Tubulin Beta-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 100 | 0.32 | Binding ≤ 10μM |
| Z80852-3-O | A-431 (Epidermoid Carcinoma Cells) (cluster #3 Of 3), Other | Other | 90 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA4A_HUMAN | P68366 | Tubulin Alpha-1 Chain, Human | 100 | 0.32 | Binding ≤ 1μM |
| TBB1_HUMAN | Q9H4B7 | Tubulin Beta-1 Chain, Human | 100 | 0.32 | Binding ≤ 1μM |
| TBA4A_HUMAN | P68366 | Tubulin Alpha-1 Chain, Human | 100 | 0.32 | Binding ≤ 10μM |
| TBB1_HUMAN | Q9H4B7 | Tubulin Beta-1 Chain, Human | 100 | 0.32 | Binding ≤ 10μM |
| Z80852 | Z80852 | A-431 (Epidermoid Carcinoma Cells) | 90 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Formation of tubulin folding intermediates by CCT/TriC | |
| Gap junction assembly | |
| Kinesins | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| MHC class II antigen presentation | |
| Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane | |
| Mitotic Prometaphase | |
| Platelet degranulation | |
| Post-chaperonin tubulin folding pathway | |
| Prefoldin mediated transfer of substrate to CCT/TriC | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Recruitment of NuMA to mitotic centrosomes | |
| Recycling pathway of L1 | |
| Regulation of PLK1 Activity at G2/M Transition | |
| 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.