| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 28 | Yes |
Popular Name: 1-[2-(3-aminophenyl)-5-tert-butyl-pyrazol-3-yl]-3-(2,3-dichlorophenyl)urea 1-[2-(3-aminophenyl)-5-tert-buty…
| 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) | 5.46 | -1.28 | -9.96 | 4 | 6 | 0 | 84 | 418.328 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2700 | 0.28 | Binding ≤ 10μM |
| ABL2-1-E | Tyrosine-protein Kinase ABL2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2700 | 0.28 | Binding ≤ 10μM |
| MK08-1-E | Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 850 | 0.30 | Binding ≤ 10μM |
| MK11-1-E | MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 52 | 0.36 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 13 | 0.39 | Binding ≤ 10μM |
| Z80523-1-O | SW1353 (cluster #1 Of 2), Other | Other | 42 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 850 | 0.30 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 13 | 0.39 | Binding ≤ 1μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 52 | 0.36 | Binding ≤ 1μM |
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 850 | 0.30 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 13 | 0.39 | Binding ≤ 10μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 52 | 0.36 | Binding ≤ 10μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 2700 | 0.28 | Binding ≤ 10μM |
| ABL2_HUMAN | P42684 | Tyrosine-protein Kinase ABL2, Human | 2700 | 0.28 | Binding ≤ 10μM |
| Z80523 | Z80523 | SW1353 | 42 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Activation of BIM and translocation to mitochondria | |
| Activation of BMF and translocation to mitochondria | |
| Activation of PPARGC1A (PGC-1alpha) by phosphorylation | |
| Activation of the AP-1 family of transcription factors | |
| ADP signalling through P2Y purinoceptor 1 | |
| CDO in myogenesis | |
| DSCAM interactions | |
| ERK/MAPK targets | |
| Factors involved in megakaryocyte development and platelet production | |
| FCERI mediated MAPK activation | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| NRAGE signals death through JNK | |
| NRIF signals cell death from the nucleus | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Role of Abl in Robo-Slit signaling | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.