UCSF

ZINC38153844

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 29 No

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) 8.21 17.27 -41.82 1 3 1 25 407.707 14

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GNAI1-1-E Guanine Nucleotide-binding Protein G(i), Alpha-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 6000 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GNAI1_HUMAN P63096 Guanine Nucleotide-binding Protein G(i), Alpha-1 Subunit, Human 6000 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adenylate cyclase inhibitory pathway
ADP signalling through P2Y purinoceptor 12
Adrenaline,noradrenaline inhibits insulin secretion
G alpha (i) signalling events
G alpha (s) signalling events
G alpha (z) signalling events
G-protein activation
PLC beta mediated events
Regulation of insulin secretion

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