| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2006 | 27 | No |
Popular Name: 3-oxo-5beta-cholanate 3-oxo-5beta-cholanate
Find On: PubMed — Wikipedia — Google
CAS Number: 1553-56-6
3-ketolithocholic acid; 3-oxocholan-24-oic acid
3-Oxo-5beta-cholan-24-oic Acid
| 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) | 4.98 | 0.51 | -55.63 | 0 | 3 | -1 | 57 | 373.557 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Patent Database Links | WO2007096431 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GPBAR-2-E | G-protein Coupled Bile Acid Receptor 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 270 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GPBAR_HUMAN | Q8TDU6 | G-protein Coupled Bile Acid Receptor 1, Human | 270 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (s) signalling events |
