| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 16th, 2008 | 13 | Yes |
Popular Name: 2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione 2-Bromo-6,7-dihydro-1H,5H-pyrrol…
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CAS Number: 96562-96-8
| 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) | 0.80 | 1.01 | -11.04 | 2 | 4 | 0 | 62 | 243.06 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.05 | -1.47 | -44.42 | 0 | 4 | -1 | 65 | 242.052 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.05 | -1.46 | -44.44 | 0 | 4 | -1 | 65 | 242.052 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK01-1-E | Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 539 | 0.68 | Binding ≤ 10μM |
| MP2K1-4-E | Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 539 | 0.68 | Binding ≤ 10μM |
| RAF1-1-E | Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic | Eukaryotes | 539 | 0.68 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 539 | 0.68 | Binding ≤ 1μM |
| MK01_HUMAN | P28482 | MAP Kinase ERK2, Human | 539 | 0.68 | Binding ≤ 1μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 539 | 0.68 | Binding ≤ 1μM |
| MP2K1_HUMAN | Q02750 | Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human | 2500 | 0.60 | Binding ≤ 10μM |
| MK01_HUMAN | P28482 | MAP Kinase ERK2, Human | 539 | 0.68 | Binding ≤ 10μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 539 | 0.68 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of the AP-1 family of transcription factors | |
| Advanced glycosylation endproduct receptor signaling | |
| CREB phosphorylation through the activation of Ras | |
| ERK/MAPK targets | |
| ERK1 activation | |
| ERK2 activation | |
| ERKs are inactivated | |
| FCERI mediated MAPK activation | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| GP1b-IX-V activation signalling | |
| Growth hormone receptor signaling | |
| Interleukin-1 signaling | |
| MEK activation | |
| NCAM signaling for neurite out-growth | |
| Negative regulation of FGFR signaling | |
| Oncogene Induced Senescence | |
| Oxidative Stress Induced Senescence | |
| phospho-PLA2 pathway | |
| RAF activation | |
| RAF phosphorylates MEK | |
| Rap1 signalling | |
| Recycling pathway of L1 | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of HSF1-mediated heat shock response | |
| RSK activation | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signal attenuation | |
| Signal transduction by L1 | |
| Signaling by FGFR | |
| Stimuli-sensing channels | |
| Thrombin signalling through proteinase activated receptors (PARs) | |
| Uptake and function of anthrax toxins |
No pre-computed analogs available. Try a structural similarity search.