| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 41 | No |
None
| 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) | 4.71 | 15.37 | -54.96 | 3 | 8 | 1 | 87 | 562.62 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 14.15 | -50.54 | 3 | 8 | 1 | 87 | 562.62 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 12.89 | -19.08 | 2 | 8 | 0 | 86 | 561.612 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.71 | 15.82 | -102.54 | 4 | 8 | 2 | 89 | 563.628 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.28 | Binding ≤ 10μM |
| LYN-1-E | Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.28 | Binding ≤ 10μM |
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other | Other | 5 | 0.28 | Functional ≤ 10μM |
| Z80566-1-O | U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other | Other | 4000 | 0.18 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 5.1 | 0.28 | Binding ≤ 1μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 4.8 | 0.28 | Binding ≤ 1μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 5.1 | 0.28 | Binding ≤ 10μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 4.8 | 0.28 | Binding ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 5 | 0.28 | Functional ≤ 10μM |
| Z80566 | Z80566 | U-937 (Histiocytic Lymphoma Cells) | 4000 | 0.18 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| CD28 co-stimulation | |
| CDO in myogenesis | |
| Cell surface interactions at the vascular wall | |
| CTLA4 inhibitory signaling | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Factors involved in megakaryocyte development and platelet production | |
| Fc epsilon receptor (FCERI) signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCERI mediated NF-kB activation | |
| FCGR activation | |
| GPVI-mediated activation cascade | |
| Growth hormone receptor signaling | |
| PECAM1 interactions | |
| Platelet Adhesion to exposed collagen | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of KIT signaling | |
| Regulation of signaling by CBL | |
| Role of Abl in Robo-Slit signaling | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Signaling by SCF-KIT |
