| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2008 | 17 | No |
Popular Name: 5-bromo-2-hydroxybenzaldehyde (4-oxo-1,3-thiazolidin-2-ylidene)hydrazone 5-bromo-2-hydroxybenzaldehyde (4…
| 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) | 1.88 | 3.19 | -8.36 | 2 | 5 | 0 | 74 | 314.164 | 2 | ↓ |
| Ref Reference (pH 7) | 1.88 | 3.23 | -9.1 | 2 | 5 | 0 | 74 | 314.164 | 2 | ↓ |
| Ref Reference (pH 7) | 2.41 | 2.24 | -14.82 | 2 | 5 | 0 | 74 | 314.164 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 3.95 | -40.56 | 1 | 5 | -1 | 77 | 313.156 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.41 | 3.01 | -52.97 | 1 | 5 | -1 | 77 | 313.156 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 3.98 | -42.37 | 1 | 5 | -1 | 77 | 313.156 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 3.32 | -34.06 | 3 | 5 | 1 | 76 | 315.172 | 3 | ↓ |
| 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 | 90 | 0.58 | Binding ≤ 10μM |
| ERBB2-3-E | Receptor Protein-tyrosine Kinase ErbB-2 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 420 | 0.53 | Binding ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 60 | 0.59 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 90 | 0.58 | Binding ≤ 1μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 420 | 0.53 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 90 | 0.58 | Binding ≤ 10μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 420 | 0.53 | Binding ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 60 | 0.59 | 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 | |
| GAB1 signalosome | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| GRB7 events in ERBB2 signaling | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 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 |
No pre-computed analogs available. Try a structural similarity search.