| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 28 | Yes |
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CAS Number: 862080-94-2
| 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) | 2.71 | 4.85 | -20.14 | 2 | 7 | 0 | 94 | 380.4 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 5.64 | -55.01 | 1 | 7 | -1 | 97 | 379.392 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA4A-1-E | Tubulin Alpha-1 Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1160 | 0.30 | Functional ≤ 10μM |
| TBB1-1-E | Tubulin Beta-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1160 | 0.30 | Functional ≤ 10μM |
| Z80125-1-O | DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other | Other | 3110 | 0.28 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 5490 | 0.26 | Functional ≤ 10μM |
| Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other | Other | 1360 | 0.29 | Functional ≤ 10μM |
| Z81054-1-O | SF-268 (Glioblastoma Cells) (cluster #1 Of 3), Other | Other | 4760 | 0.27 | Functional ≤ 10μM |
| Z81252-3-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other | Other | 7720 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 5490 | 0.26 | Functional ≤ 10μM |
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 3110 | 0.28 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 7720 | 0.26 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 1360 | 0.29 | Functional ≤ 10μM |
| Z81054 | Z81054 | SF-268 (Glioblastoma Cells) | 4760 | 0.27 | Functional ≤ 10μM |
| TBA4A_HUMAN | P68366 | Tubulin Alpha-1 Chain, Human | 1160 | 0.30 | Functional ≤ 10μM |
| TBB1_HUMAN | Q9H4B7 | Tubulin Beta-1 Chain, Human | 1160 | 0.30 | 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.