| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 19 | No |
Popular Name: 2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde 2-(4-methoxyphenyl)-1H-indole-3-…
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CAS Number: 76195-80-7
| 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) | 3.61 | 0.8 | -8.21 | 1 | 3 | 0 | 42 | 251.285 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q862F3-2-E | Tubulin Alpha Chain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3300 | 0.40 | Binding ≤ 10μM |
| Q862L2-2-E | Tubulin Alpha-1 Chain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3300 | 0.40 | Binding ≤ 10μM |
| TBB2B-1-E | Tubulin Beta Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3300 | 0.40 | Binding ≤ 10μM |
| Z103205-3-O | A431 (cluster #3 Of 4), Other | Other | 210 | 0.49 | Functional ≤ 10μM |
| Z80224-5-O | MCF7 (Breast Carcinoma Cells) (cluster #5 Of 14), Other | Other | 180 | 0.50 | Functional ≤ 10μM |
| Z81252-3-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other | Other | 470 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q862F3_BOVIN | Q862F3 | Tubulin Alpha Chain, Bovin | 3300 | 0.40 | Binding ≤ 10μM |
| Q862L2_BOVIN | Q862L2 | Tubulin Alpha-1 Chain, Bovin | 3300 | 0.40 | Binding ≤ 10μM |
| TBB2B_BOVIN | Q6B856 | Tubulin Beta Chain, Bovin | 3300 | 0.40 | Binding ≤ 10μM |
| Z103205 | Z103205 | A431 | 210 | 0.49 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 180 | 0.50 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 470 | 0.47 | 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 |
