UCSF

ZINC06092528

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) -4.26 -5.26 -44.77 0 5 0 85 184.176 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GBRA1-8-E GABA Receptor Alpha-1 Subunit (cluster #8 Of 8), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
GBRA2-6-E GABA Receptor Alpha-2 Subunit (cluster #6 Of 8), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
GBRA3-5-E GABA Receptor Alpha-3 Subunit (cluster #5 Of 8), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
GBRA4-5-E GABA Receptor Alpha-4 Subunit (cluster #5 Of 7), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
GBRA5-4-E GABA Receptor Alpha-5 Subunit (cluster #4 Of 8), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
GBRA6-4-E GABA Receptor Alpha-6 Subunit (cluster #4 Of 8), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
GBRB1-4-E GABA Receptor Beta-1 Subunit (cluster #4 Of 6), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
GBRB2-7-E GABA Receptor Beta-2 Subunit (cluster #7 Of 7), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
GBRB3-6-E GABA Receptor Beta-3 Subunit (cluster #6 Of 6), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
GBRG1-4-E GABA Receptor Gamma-1 Subunit (cluster #4 Of 7), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
GBRG2-7-E GABA Receptor Gamma-2 Subunit (cluster #7 Of 7), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
GBRG3-5-E GABA Receptor Gamma-3 Subunit (cluster #5 Of 7), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
GBRP-6-E GABA Receptor Pi Subunit (cluster #6 Of 6), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
Q91ZM7-3-E GABA Receptor Theta Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GBRA1_RAT P62813 GABA Receptor Alpha-1 Subunit, Rat 5000 0.62 Binding ≤ 10μM
GBRA2_RAT P23576 GABA Receptor Alpha-2 Subunit, Rat 5000 0.62 Binding ≤ 10μM
GBRA3_RAT P20236 GABA Receptor Alpha-3 Subunit, Rat 5000 0.62 Binding ≤ 10μM
GBRA4_RAT P28471 GABA Receptor Alpha-4 Subunit, Rat 5000 0.62 Binding ≤ 10μM
GBRA5_RAT P19969 GABA Receptor Alpha-5 Subunit, Rat 5000 0.62 Binding ≤ 10μM
GBRA6_RAT P30191 GABA Receptor Alpha-6 Subunit, Rat 5000 0.62 Binding ≤ 10μM
GBRB1_RAT P15431 GABA Receptor Beta-1 Subunit, Rat 5000 0.62 Binding ≤ 10μM
GBRB2_RAT P63138 GABA Receptor Beta-2 Subunit, Rat 5000 0.62 Binding ≤ 10μM
GBRB3_RAT P63079 GABA Receptor Beta-3 Subunit, Rat 5000 0.62 Binding ≤ 10μM
GBRG1_RAT P23574 GABA Receptor Gamma-1 Subunit, Rat 5000 0.62 Binding ≤ 10μM
GBRG2_RAT P18508 GABA Receptor Gamma-2 Subunit, Rat 5000 0.62 Binding ≤ 10μM
GBRG3_RAT P28473 GABA Receptor Gamma-3 Subunit, Rat 5000 0.62 Binding ≤ 10μM
GBRP_RAT O09028 GABA Receptor Pi Subunit, Rat 5000 0.62 Binding ≤ 10μM
Q91ZM7_RAT Q91ZM7 GABA Receptor Theta Subunit, Rat 5000 0.62 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
GABA A receptor activation
Ligand-gated ion channel transport

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