| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 20 | Yes |
Popular Name: LAVENDUSTIN C LAVENDUSTIN C
Find On: PubMed — Wikipedia — Google
CAS Number: 125697-93-0
| 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) | 2.54 | 0 | -56.13 | 4 | 6 | -1 | 113 | 274.252 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR-2-E | Epidermal Growth Factor Receptor ErbB1 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 4000 | 0.38 | Binding ≤ 10μM |
| KKCC2-1-E | CaM-kinase Kinase Beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 200 | 0.47 | Binding ≤ 10μM |
| LCK-3-E | Tyrosine-protein Kinase LCK (cluster #3 Of 4), Eukaryotic | Eukaryotes | 30 | 0.53 | Binding ≤ 10μM |
| NOX4-1-E | NADPH Oxidase 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1340 | 0.41 | Binding ≤ 10μM |
| EGFR-2-E | Epidermal Growth Factor Receptor ErbB1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4000 | 0.38 | Functional ≤ 10μM |
| ERBB2-1-E | Receptor Protein-tyrosine Kinase ErbB-2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 900 | 0.42 | Functional ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 2), Eukaryotic | Eukaryotes | 900 | 0.42 | Functional ≤ 10μM |
| Z80840-1-O | ER22 Cell Line (cluster #1 Of 1), Other | Other | 30 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KKCC2_HUMAN | Q96RR4 | CaM-kinase Kinase Beta, Human | 200 | 0.47 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 150 | 0.48 | Binding ≤ 1μM |
| Z80840 | Z80840 | ER22 Cell Line | 150 | 0.48 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 30 | 0.53 | Binding ≤ 1μM |
| KKCC2_HUMAN | Q96RR4 | CaM-kinase Kinase Beta, Human | 200 | 0.47 | Binding ≤ 10μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 150 | 0.48 | Binding ≤ 10μM |
| Z80840 | Z80840 | ER22 Cell Line | 150 | 0.48 | Binding ≤ 10μM |
| NOX4_HUMAN | Q9NPH5 | NADPH Oxidase 4, Human | 1340 | 0.41 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 10000 | 0.35 | Binding ≤ 10μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 4000 | 0.38 | Functional ≤ 10μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 900 | 0.42 | Functional ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 10000 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| Downregulation of ERBB2:ERBB3 signaling | |
| Downstream TCR signaling | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| GAB1 signalosome | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| GRB7 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 KIT signaling | |
| Sema4D induced cell migration and growth-cone collapse | |
| 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 |
