| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 26 | Yes |
Popular Name: ABT-751 ABT-751
Find On: PubMed — Wikipedia — Google
CAS Numbers: 141430-65-1 , [141430-65-1]
| 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) | 3.33 | 3.28 | -12.76 | 3 | 7 | 0 | 101 | 371.418 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 3.22 | -44.02 | 2 | 7 | -1 | 103 | 370.41 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Microtubule Associated | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q862F3-2-E | Tubulin Alpha Chain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2200 | 0.30 | Functional ≤ 10μM |
| Q862L2-2-E | Tubulin Alpha-1 Chain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2200 | 0.30 | Functional ≤ 10μM |
| TBA1A-1-E | Tubulin Alpha-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3100 | 0.30 | Functional ≤ 10μM |
| TBB2B-2-E | Tubulin Beta Chain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2200 | 0.30 | Functional ≤ 10μM |
| Z103203-1-O | A375 (cluster #1 Of 3), Other | Other | 1111 | 0.32 | Functional ≤ 10μM |
| Z80125-4-O | DU-145 (Prostate Carcinoma) (cluster #4 Of 9), Other | Other | 839 | 0.33 | Functional ≤ 10μM |
| Z80156-1-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other | Other | 340 | 0.35 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 190 | 0.36 | Functional ≤ 10μM |
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 786 | 0.33 | Functional ≤ 10μM |
| Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 960 | 0.32 | Functional ≤ 10μM |
| Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other | Other | 350 | 0.35 | Functional ≤ 10μM |
| Z81034-1-O | A2780 (Ovarian Carcinoma Cells) (cluster #1 Of 10), Other | Other | 170 | 0.36 | Functional ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 160 | 0.37 | Functional ≤ 10μM |
| Z81170-1-O | LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other | Other | 658 | 0.33 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 270 | 0.35 | Functional ≤ 10μM |
| Z81331-1-O | SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other | Other | 190 | 0.36 | Functional ≤ 10μM |
| Z81335-4-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #4 Of 5), Other | Other | 340 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 170 | 0.36 | Functional ≤ 10μM |
| Z103203 | Z103203 | A375 | 1111 | 0.32 | Functional ≤ 10μM |
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 839 | 0.33 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 900 | 0.33 | Functional ≤ 10μM |
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 340 | 0.35 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 270 | 0.35 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 340 | 0.35 | Functional ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 160 | 0.37 | Functional ≤ 10μM |
| Z81170 | Z81170 | LNCaP (Prostate Carcinoma) | 658 | 0.33 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 350 | 0.35 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 190 | 0.36 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 786 | 0.33 | Functional ≤ 10μM |
| Z81331 | Z81331 | SW-620 (Colon Adenocarcinoma Cells) | 190 | 0.36 | Functional ≤ 10μM |
| Q862F3_BOVIN | Q862F3 | Tubulin Alpha Chain, Bovin | 2200 | 0.30 | Functional ≤ 10μM |
| TBA1A_PIG | P02550 | Tubulin Alpha Chain, Pig | 3100 | 0.30 | Functional ≤ 10μM |
| Q862L2_BOVIN | Q862L2 | Tubulin Alpha-1 Chain, Bovin | 2200 | 0.30 | Functional ≤ 10μM |
| TBB2B_BOVIN | Q6B856 | Tubulin Beta Chain, Bovin | 2200 | 0.30 | 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 |
