| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 38 | No |
Popular Name: SKI-758 SKI-758
| 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) | 5.81 | 10.96 | -44.28 | 2 | 8 | 1 | 88 | 553.47 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.81 | 11.09 | -43.99 | 2 | 8 | 1 | 88 | 553.47 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.81 | 8.62 | -9.24 | 1 | 8 | 0 | 87 | 552.462 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| EGFR-1-E | Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 230 | 0.24 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.33 | Binding ≤ 10μM |
| LCK-2-E | Tyrosine-protein Kinase LCK (cluster #2 Of 2), Eukaryotic | Eukaryotes | 20 | 0.28 | Functional ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 1), Eukaryotic | Eukaryotes | 15 | 0.29 | Functional ≤ 10μM |
| Z80416-1-O | Rat1 (Fibroblast Cells) (cluster #1 Of 1), Other | Other | 20 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 230 | 0.24 | Binding ≤ 1μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 0.4 | 0.35 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 0.78 | 0.34 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 230 | 0.24 | Binding ≤ 10μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 0.4 | 0.35 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 0.78 | 0.34 | Binding ≤ 10μM |
| Z80416 | Z80416 | Rat1 (Fibroblast Cells) | 15 | 0.29 | Functional ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 20 | 0.28 | Functional ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 15 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| CDO in myogenesis | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| Downstream TCR signaling | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| Factors involved in megakaryocyte development and platelet production | |
| GAB1 signalosome | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| Interleukin-2 signaling | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of KIT signaling | |
| Role of Abl in Robo-Slit signaling | |
| SHC1 events in EGFR signaling | |
| SHC1 events in ERBB2 signaling | |
| Signal transduction by L1 | |
| Signaling by constitutively active EGFR | |
| Signaling by EGFR | |
| Signaling by ERBB2 | |
| Signaling by ERBB4 | |
| Signaling by SCF-KIT | |
| Translocation of ZAP-70 to Immunological synapse |
No pre-computed analogs available. Try a structural similarity search.
![Phenyl-[7-[5-(piperazinomethyl)-3-furyl]-4-quinolyl]amine](http://zinc12.docking.org/img/rings/138582.gif)