| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2008 | 30 | Yes |
| 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) | 4.33 | 12.41 | -12.22 | 1 | 7 | 0 | 72 | 395.47 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR-1-E | Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.42 | Binding ≤ 10μM |
| ERBB2-2-E | Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 18 | 0.36 | Binding ≤ 10μM |
| ERBB4-1-E | Receptor Protein-tyrosine Kinase ErbB-4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 20 | 0.36 | Binding ≤ 10μM |
| MP2K1-1-E | Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 9700 | 0.23 | Binding ≤ 10μM |
| MP2K2-1-E | Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9700 | 0.23 | Binding ≤ 10μM |
| EGFR-1-E | Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 210 | 0.31 | Functional ≤ 10μM |
| ERBB2-2-E | Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 390 | 0.30 | Functional ≤ 10μM |
| Z80046-1-O | BT-474 (Breast Ductal Carcinoma Cells) (cluster #1 Of 1), Other | Other | 70 | 0.33 | Functional ≤ 10μM |
| Z80058-1-O | Calu-3 (cluster #1 Of 1), Other | Other | 390 | 0.30 | Functional ≤ 10μM |
| Z80904-1-O | HB4a (cluster #1 Of 1), Other | Other | 97 | 0.33 | Functional ≤ 10μM |
| Z80961-1-O | HN5 (Squamous Cell Carcinoma) (cluster #1 Of 1), Other | Other | 210 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 1 | 0.42 | Binding ≤ 1μM |
| ERBB2_RAT | P06494 | Receptor Protein-tyrosine Kinase ErbB-2, Rat | 18 | 0.36 | Binding ≤ 1μM |
| ERBB4_HUMAN | Q15303 | Receptor Protein-tyrosine Kinase ErbB-4, Human | 20 | 0.36 | Binding ≤ 1μM |
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 9700 | 0.23 | Binding ≤ 10μM |
| MP2K2_HUMAN | P36507 | Dual Specificity Mitogen-activated Protein Kinase Kinase 2, Human | 9700 | 0.23 | Binding ≤ 10μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 1 | 0.42 | Binding ≤ 10μM |
| ERBB2_RAT | P06494 | Receptor Protein-tyrosine Kinase ErbB-2, Rat | 18 | 0.36 | Binding ≤ 10μM |
| ERBB4_HUMAN | Q15303 | Receptor Protein-tyrosine Kinase ErbB-4, Human | 20 | 0.36 | Binding ≤ 10μM |
| Z80046 | Z80046 | BT-474 (Breast Ductal Carcinoma Cells) | 70 | 0.33 | Functional ≤ 10μM |
| Z80058 | Z80058 | Calu-3 | 390 | 0.30 | Functional ≤ 10μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 210 | 0.31 | Functional ≤ 10μM |
| Z80904 | Z80904 | HB4a | 97 | 0.33 | Functional ≤ 10μM |
| Z80961 | Z80961 | HN5 (Squamous Cell Carcinoma) | 210 | 0.31 | Functional ≤ 10μM |
| ERBB2_RAT | P06494 | Receptor Protein-tyrosine Kinase ErbB-2, Rat | 390 | 0.30 | Functional ≤ 10μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 70 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer | |
| Downregulation of ERBB2:ERBB3 signaling | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| ERK1 activation | |
| ERK2 activation | |
| GAB1 signalosome | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| GRB7 events in ERBB2 signaling | |
| Interleukin-1 signaling | |
| MEK activation | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| RAF phosphorylates MEK | |
| 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 FGFR | |
| Uptake and function of anthrax toxins |
