| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2006 | 30 | Yes |
Popular Name: ginkgolide b ginkgolide b
Find On: PubMed — Wikipedia — Google
CAS Numbers: 15291-77-7 , [15291-77-7]
| 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) | -2.38 | -3.74 | -19.56 | 3 | 10 | 0 | 148 | 424.402 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.21e+00 g/l | DrugBank-nutriceuticals |
| Target | Prostaglandin G/H synthase 1(P23219)&Prostaglandin G/H synthase 2(P35354)&DNA gyrase subunit B(P0AES6)&DNA topoisomerase 1(P11387)&Transcription factor AP-1(P05412)&Gap junction alpha-1 protein(P17302)&Prostaglandin E2 receptor EP3 subtype(P43115)&Nitric | Herbal Ingredients Targets |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLRA1-1-E | Glycine Receptor Subunit Alpha-1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2900 | 0.26 | Binding ≤ 10μM |
| GLRA2-1-E | Glycine Receptor Subunit Alpha-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3700 | 0.25 | Binding ≤ 10μM |
| PTAFR-1-E | Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 180 | 0.31 | Binding ≤ 10μM |
| PTAFR-2-E | Platelet Activating Factor Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 740 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTAFR_HUMAN | P25105 | Platelet Activating Factor Receptor, Human | 128 | 0.32 | Binding ≤ 1μM |
| GLRA1_HUMAN | P23415 | Glycine Receptor Subunit Alpha-1, Human | 1700 | 0.27 | Binding ≤ 10μM |
| GLRA2_HUMAN | P23416 | Glycine Receptor Subunit Alpha-2, Human | 3700 | 0.25 | Binding ≤ 10μM |
| PTAFR_HUMAN | P25105 | Platelet Activating Factor Receptor, Human | 128 | 0.32 | Binding ≤ 10μM |
| PTAFR_HUMAN | P25105 | Platelet Activating Factor Receptor, Human | 740 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (q) signalling events | |
| Interferon gamma signaling | |
| Ligand-gated ion channel transport |
