In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2005 | 28 | No |
Popular Name: Lagodeoxycholic Lagodeoxycholic
12-Epideoxycholate; 12-Epideoxycholic acid; C17646
3a,12b-Dihydroxy-5b-cholanoic acid
3alpha, 12beta-Dihydroxy-5beta-cholanoic acid; CCRIS 3992; LS-188152
None
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) | 4.25 | -2.09 | -50.05 | 2 | 4 | -1 | 80 | 391.572 | 4 | ↓ |
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 | 4390 | 0.27 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
GPBAR_HUMAN | Q8TDU6 | G-protein Coupled Bile Acid Receptor 1, Human | 4390 | 0.27 | Functional ≤ 10μM |
Description | Species |
---|---|
Class A/1 (Rhodopsin-like receptors) | |
G alpha (s) signalling events |