UCSF

ZINC13437713

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 26 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) 7.16 10.91 -5.21 1 2 0 33 357.513 8
Lo Low (pH 4.5-6) 7.16 11.23 -26.2 2 2 1 34 358.521 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLR-2-E Glucagon Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 700 0.33 Binding ≤ 10μM
GLR-1-E Glucagon Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 400 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLR_HUMAN P47871 Glucagon Receptor, Human 700 0.33 Binding ≤ 1μM
GLR_HUMAN P47871 Glucagon Receptor, Human 700 0.33 Binding ≤ 10μM
GLR_HUMAN P47871 Glucagon Receptor, Human 400 0.34 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
G alpha (s) signalling events
Glucagon signaling in metabolic regulation
Glucagon-type ligand receptors

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