| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 28 | No |
Popular Name: [2-amino-5-(3-methoxyphenyl)-3-thienyl]-(3,4,5-trimethoxyphenyl)methanone [2-amino-5-(3-methoxyphenyl)-3-t…
| 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) | 4.17 | 7.03 | -12.1 | 2 | 6 | 0 | 80 | 399.468 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q862F3-1-E | Tubulin Alpha Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1700 | 0.29 | Binding ≤ 10μM |
| Q862L2-1-E | Tubulin Alpha-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1700 | 0.29 | Binding ≤ 10μM |
| TBB2B-1-E | Tubulin Beta Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1700 | 0.29 | Binding ≤ 10μM |
| TBB1-1-E | Tubulin Beta-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1200 | 0.30 | Functional ≤ 10μM |
| TBB3-1-E | Tubulin Beta-3 Chain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1200 | 0.30 | Functional ≤ 10μM |
| TBB4A-1-E | Tubulin Beta-4 Chain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1200 | 0.30 | Functional ≤ 10μM |
| TBB4B-1-E | Tubulin Beta-2 Chain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1200 | 0.30 | Functional ≤ 10μM |
| TBB5-1-E | Tubulin Beta-5 Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1200 | 0.30 | Functional ≤ 10μM |
| TBB8-1-E | Tubulin Beta-8 Chain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1200 | 0.30 | Functional ≤ 10μM |
| Z80186-6-O | K562 (Erythroleukemia Cells) (cluster #6 Of 11), Other | Other | 10 | 0.40 | Functional ≤ 10μM |
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 21 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q862F3_BOVIN | Q862F3 | Tubulin Alpha Chain, Bovin | 1700 | 0.29 | Binding ≤ 10μM |
| Q862L2_BOVIN | Q862L2 | Tubulin Alpha-1 Chain, Bovin | 1700 | 0.29 | Binding ≤ 10μM |
| TBB2B_BOVIN | Q6B856 | Tubulin Beta Chain, Bovin | 1700 | 0.29 | Binding ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 10.1 | 0.40 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 20.8 | 0.38 | Functional ≤ 10μM |
| TBB1_HUMAN | Q9H4B7 | Tubulin Beta-1 Chain, Human | 1200 | 0.30 | Functional ≤ 10μM |
| TBB4B_HUMAN | P68371 | Tubulin Beta-2 Chain, Human | 1200 | 0.30 | Functional ≤ 10μM |
| TBB3_HUMAN | Q13509 | Tubulin Beta-3 Chain, Human | 1200 | 0.30 | Functional ≤ 10μM |
| TBB4A_HUMAN | P04350 | Tubulin Beta-4 Chain, Human | 1200 | 0.30 | Functional ≤ 10μM |
| TBB5_HUMAN | P07437 | Tubulin Beta-5 Chain, Human | 1200 | 0.30 | Functional ≤ 10μM |
| TBB8_HUMAN | Q3ZCM7 | Tubulin Beta-8 Chain, Human | 1200 | 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 | |
| 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.
