UCSF

ZINC08837267

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 32 No

Popular Name: Glycodeoxycholic acid Glycodeoxycholic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16409-34-0 , 360-65-6 , [360-65-6]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.44 -4.68 -47.75 3 6 -1 109 448.624 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0014252A1; EP0133258A2; EP0154977A2; EP0180564A2; EP0180564B1; EP0242380A1; EP0242380B1; EP0244825A1; EP0244825B1; EP0259185A1; EP0261426A1; EP0261426B1; EP0267208A1; EP0267208B1; EP0272578A2; EP0272578B1; EP0301392A1; EP0338081A1; EP0391896B1; EP042602 IBM Patent Data
Patent Database Links EP1815846; EP1829527; EP1829528; US2007184114 ChEBI
SOLUBILITY H2O: 0.1M AT 20O C, clear, colourless Indofine

Activity (Go SEA)

Clustered Target Annotations
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 1180 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GPBAR_HUMAN Q8TDU6 G-protein Coupled Bile Acid Receptor 1, Human 1180 0.26 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (s) signalling events

Analogs ( Draw Identity 99% 90% 80% 70% )