| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 18 | Yes |
Popular Name: 4-(6-Methoxybenzo[d]thiazol-2-yl)aniline 4-(6-Methoxybenzo[d]thiazol-2-yl…
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CAS Number: 43036-17-5
| 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) | 3.40 | -2.32 | -8.65 | 2 | 3 | 0 | 48 | 256.33 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A4-2-E | Beta Amyloid A4 Protein (cluster #2 Of 5), Eukaryotic | Eukaryotes | 7 | 0.63 | Binding ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A4_HUMAN | P05067 | Beta Amyloid A4 Protein, Human | 7 | 0.63 | Binding ≤ 1μM |
| A4_HUMAN | P05067 | Beta Amyloid A4 Protein, Human | 7 | 0.63 | Binding ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 0.1 | 0.78 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Advanced glycosylation endproduct receptor signaling | |
| Amyloids | |
| DEx/H-box helicases activate type I IFN and inflammatory cytokines production | |
| ECM proteoglycans | |
| Formyl peptide receptors bind formyl peptides and many other ligands | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Platelet degranulation | |
| RIP-mediated NFkB activation via ZBP1 | |
| TAK1 activates NFkB by phosphorylation and activation of IKKs complex | |
| The NLRP3 inflammasome | |
| TRAF6 mediated NF-kB activation |
No pre-computed analogs available. Try a structural similarity search.