| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2006 | 23 | Yes |
Popular Name: (Z)-2-Methoxy-5-(3,4,5-trimethoxystyryl)aniline (Z)-2-Methoxy-5-(3,4,5-trimethox…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 162705-07-9 , [162705-07-9]
| 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) | 3.60 | 1.02 | -9.26 | 2 | 5 | 0 | 62 | 315.369 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA1A-1-E | Tubulin Alpha-3 Chain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4000 | 0.33 | Binding ≤ 10μM |
| TBB1-1-E | Tubulin Beta-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4000 | 0.33 | Binding ≤ 10μM |
| Q862F3-1-E | Tubulin Alpha Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.37 | Functional ≤ 10μM |
| Q862L2-1-E | Tubulin Alpha-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.37 | Functional ≤ 10μM |
| TBA1A-1-E | Tubulin Alpha-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 300 | 0.40 | Functional ≤ 10μM |
| TBB1-1-E | Tubulin Beta-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 300 | 0.40 | Functional ≤ 10μM |
| TBB2B-1-E | Tubulin Beta Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.37 | Functional ≤ 10μM |
| Z50591-2-O | Bos Taurus (cluster #2 Of 2), Other | Other | 1000 | 0.37 | Functional ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 5 | 0.51 | Functional ≤ 10μM |
| Z80156-1-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other | Other | 12 | 0.48 | Functional ≤ 10μM |
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 8 | 0.49 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 4 | 0.51 | Functional ≤ 10μM |
| Z80269-1-O | MKN-45 (Gastric Adenocarcinoma Cells) (cluster #1 Of 3), Other | Other | 5 | 0.51 | Functional ≤ 10μM |
| Z80555-1-O | TSGH (cluster #1 Of 1), Other | Other | 8 | 0.49 | Functional ≤ 10μM |
| Z80792-1-O | Colon 26 (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other | Other | 3 | 0.52 | Functional ≤ 10μM |
| Z80928-6-O | HCT-116 (Colon Carcinoma Cells) (cluster #6 Of 9), Other | Other | 269 | 0.40 | Functional ≤ 10μM |
| Z81001-1-O | TSGH 9201 (Gastric Carcinoma Cells) (cluster #1 Of 1), Other | Other | 7 | 0.50 | Functional ≤ 10μM |
| Z81024-5-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #5 Of 8), Other | Other | 9 | 0.49 | Functional ≤ 10μM |
| Z81115-1-O | KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other | Other | 8 | 0.49 | Functional ≤ 10μM |
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 1 | 0.55 | Functional ≤ 10μM |
| Z81252-3-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other | Other | 45 | 0.45 | Functional ≤ 10μM |
| Z81335-2-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other | Other | 45 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA1A_RAT | P68370 | Tubulin Alpha-1 Chain, Rat | 4000 | 0.33 | Binding ≤ 10μM |
| TBB1_HUMAN | Q9H4B7 | Tubulin Beta-1 Chain, Human | 4000 | 0.33 | Binding ≤ 10μM |
| Z50591 | Z50591 | Bos Taurus | 1000 | 0.37 | Functional ≤ 10μM |
| Z80792 | Z80792 | Colon 26 (Colon Adenocarcinoma Cells) | 5.1 | 0.50 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 269 | 0.40 | Functional ≤ 10μM |
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 45.2 | 0.45 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 0.53 | 0.56 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 12 | 0.48 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 5 | 0.51 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 4.8 | 0.51 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 3.5 | 0.51 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 45 | 0.45 | Functional ≤ 10μM |
| Z80269 | Z80269 | MKN-45 (Gastric Adenocarcinoma Cells) | 5.1 | 0.50 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 5.1 | 0.50 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 4.9 | 0.51 | Functional ≤ 10μM |
| Z80555 | Z80555 | TSGH | 7.7 | 0.49 | Functional ≤ 10μM |
| Z81001 | Z81001 | TSGH 9201 (Gastric Carcinoma Cells) | 7 | 0.50 | Functional ≤ 10μM |
| Q862F3_BOVIN | Q862F3 | Tubulin Alpha Chain, Bovin | 1000 | 0.37 | Functional ≤ 10μM |
| Q862L2_BOVIN | Q862L2 | Tubulin Alpha-1 Chain, Bovin | 1000 | 0.37 | Functional ≤ 10μM |
| TBA1A_RAT | P68370 | Tubulin Alpha-1 Chain, Rat | 300 | 0.40 | Functional ≤ 10μM |
| TBB2B_BOVIN | Q6B856 | Tubulin Beta Chain, Bovin | 1000 | 0.37 | Functional ≤ 10μM |
| TBB1_HUMAN | Q9H4B7 | Tubulin Beta-1 Chain, Human | 300 | 0.40 | 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 |
