| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 17 | No |
Popular Name: LFM-A13 LFM-A13
Find On: PubMed — Wikipedia — Google
CAS Numbers: 244240-24-2 , 62004-35-7
| 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) | 2.21 | 6.33 | -36.23 | 1 | 4 | -1 | 76 | 358.997 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 3.28 | -97.72 | 0 | 4 | -2 | 82 | 357.989 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BTK-1-E | Tyrosine-protein Kinase BTK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2500 | 0.46 | Binding ≤ 10μM |
| PLK3-1-E | Serine/threonine-protein Kinase PLK3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7200 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLK3_HUMAN | Q9H4B4 | Serine/threonine-protein Kinase PLK3, Human | 7200 | 0.42 | Binding ≤ 10μM |
| BTK_HUMAN | Q06187 | Tyrosine-protein Kinase BTK, Human | 2500 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| DAP12 signaling | |
| FCERI mediated Ca+2 mobilization | |
| MyD88:Mal cascade initiated on plasma membrane | |
| Regulation of actin dynamics for phagocytic cup formation |
No pre-computed analogs available. Try a structural similarity search.