In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 37 | No |
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) | 5.81 | 13.64 | -48.9 | 2 | 8 | 1 | 69 | 561.925 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.81 | 11.11 | -15.15 | 1 | 8 | 0 | 68 | 560.917 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.34 | Binding ≤ 10μM |
Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 100 | 0.26 | Functional ≤ 10μM |
Z80548-1-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other | Other | 2 | 0.33 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 0.5 | 0.35 | Binding ≤ 1μM |
MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 0.5 | 0.35 | Binding ≤ 10μM |
Z50587 | Z50587 | Homo Sapiens | 100 | 0.26 | Functional ≤ 10μM |
Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 2.3 | 0.33 | 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 | |
ERK/MAPK targets | |
KSRP destabilizes mRNA | |
NOD1/2 Signaling Pathway | |
Oxidative Stress Induced Senescence | |
p38MAPK events | |
Platelet sensitization by LDL | |
VEGFA-VEGFR2 Pathway |