UCSF

ZINC12359024

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 14 Yes

Popular Name: Galactaric acid Galactaric acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 526-99-8 , 675132-86-2 , 7492-31-1 , [526-99-8]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -3.34 -8.52 -100.41 4 8 -2 161 208.122 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
MP 99-102 °C Indofine
Melting_Point ca 210? dec. Alfa-Aesar
Melting_Point ca 210° dec. Alfa-Aesar
UniProt Database Links CDAR_ECOLI; GARD_BACSU; GARD_ECOLI; GARL_CITK8; GARL_ECO24; GARL_ECO27; GARL_ECO45; GARL_ECO55; GARL_ECO57; GARL_ECO5E; GARL_ECO7I; GARL_ECO8A; GARL_ECOBW; GARL_ECODH; GARL_ECOHS; GARL_ECOK1; GARL_ECOL5; GARL_ECOL6; GARL_ECOLC; GARL_ECOLI; GARL_ECOLU; GAR ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACHA4-2-E Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #2 Of 5), Eukaryotic Eukaryotes 530 0.63 Binding ≤ 10μM
ACHA6-3-E Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #3 Of 4), Eukaryotic Eukaryotes 530 0.63 Binding ≤ 10μM
ACHA7-4-E Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #4 Of 6), Eukaryotic Eukaryotes 5770 0.52 Binding ≤ 10μM
ACHB3-3-E Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #3 Of 4), Eukaryotic Eukaryotes 530 0.63 Binding ≤ 10μM
ACHB4-7-E Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #7 Of 7), Eukaryotic Eukaryotes 24 0.76 Binding ≤ 10μM
Q8BGP7-2-E Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 530 0.63 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACHA4_MOUSE O70174 Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Mouse 530 0.63 Binding ≤ 1μM
Q8BGP7_MOUSE Q8BGP7 Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Mouse 30 0.75 Binding ≤ 1μM
ACHA6_MOUSE Q9R0W9 Neuronal Acetylcholine Receptor Subunit Alpha-6, Mouse 340 0.65 Binding ≤ 1μM
ACHB3_MOUSE Q8BMN3 Neuronal Acetylcholine Receptor Subunit Beta-3, Mouse 530 0.63 Binding ≤ 1μM
ACHB4_MOUSE Q8R493 Neuronal Acetylcholine Receptor Subunit Beta-4, Mouse 30 0.75 Binding ≤ 1μM
ACHA4_MOUSE O70174 Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Mouse 1200 0.59 Binding ≤ 10μM
ACHA7_MOUSE P49582 Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Mouse 5770 0.52 Binding ≤ 10μM
Q8BGP7_MOUSE Q8BGP7 Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Mouse 1200 0.59 Binding ≤ 10μM
ACHA6_MOUSE Q9R0W9 Neuronal Acetylcholine Receptor Subunit Alpha-6, Mouse 1200 0.59 Binding ≤ 10μM
ACHB3_MOUSE Q8BMN3 Neuronal Acetylcholine Receptor Subunit Beta-3, Mouse 1200 0.59 Binding ≤ 10μM
ACHB4_MOUSE Q8R493 Neuronal Acetylcholine Receptor Subunit Beta-4, Mouse 30 0.75 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Highly calcium permeable nicotinic acetylcholine receptors
Highly calcium permeable postsynaptic nicotinic acetylcholine receptors
Highly sodium permeable acetylcholine nicotinic receptors

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

No pre-computed analogs available. Try a structural similarity search.