| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 28 | Yes |
None
| 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) | 4.54 | 12.28 | -39.81 | 3 | 6 | 1 | 67 | 417.99 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.54 | 9.8 | -10.42 | 2 | 6 | 0 | 66 | 416.982 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.54 | 12.64 | -83.59 | 4 | 6 | 2 | 68 | 418.998 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LIMK1-1-E | LIM Domain Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| LIMK2-1-E | LIM Domain Kinase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.43 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5 | 0.42 | Binding ≤ 10μM |
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other | Other | 1 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LIMK1_HUMAN | P53667 | LIM Domain Kinase 1, Human | 4.01 | 0.42 | Binding ≤ 1μM |
| LIMK2_HUMAN | P53671 | LIM Domain Kinase 2, Human | 3.05 | 0.43 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 5 | 0.42 | Binding ≤ 1μM |
| LIMK1_HUMAN | P53667 | LIM Domain Kinase 1, Human | 4.01 | 0.42 | Binding ≤ 10μM |
| LIMK2_HUMAN | P53671 | LIM Domain Kinase 2, Human | 3.05 | 0.43 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 5 | 0.42 | Binding ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 1 | 0.45 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| 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 | |
| EPHB-mediated forward signaling | |
| ERK/MAPK targets | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Sema3A PAK dependent Axon repulsion | |
| Sema4D induced cell migration and growth-cone collapse | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.
