| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 32 | Yes |
| 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) | 1.06 | 7.19 | -67.53 | 2 | 10 | -1 | 142 | 457.488 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 7.59 | -122.04 | 1 | 10 | -2 | 144 | 456.48 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | 5.21 | -30.89 | 3 | 10 | 0 | 140 | 458.496 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S100B-2-E | S-100 Protein Beta Chain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4500 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S100B_HUMAN | P04271 | S-100 Protein Beta Chain, Human | 4500 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Advanced glycosylation endproduct receptor signaling | |
| DEx/H-box helicases activate type I IFN and inflammatory cytokines production | |
| Nuclear signaling by ERBB4 | |
| RIP-mediated NFkB activation via ZBP1 | |
| TAK1 activates NFkB by phosphorylation and activation of IKKs complex | |
| TRAF6 mediated NF-kB activation |
