UCSF

ZINC28951019

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 21 Yes

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) 3.76 4.39 -11.9 1 5 0 72 348.255 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLP1R-1-E Glucagon-like Peptide Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 32 0.50 Binding ≤ 10μM
GLP1R-1-E Glucagon-like Peptide Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 155 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLP1R_HUMAN P43220 Glucagon-like Peptide Receptor, Human 32 0.50 Binding ≤ 1μM
GLP1R_HUMAN P43220 Glucagon-like Peptide Receptor, Human 32 0.50 Binding ≤ 10μM
GLP1R_HUMAN P43220 Glucagon-like Peptide Receptor, Human 101 0.47 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (s) signalling events
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion
Glucagon-type ligand receptors

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

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