UCSF

ZINC26173596

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 40 No

Popular Name: LS-193210 LS-193210

Find On: PubMed — Wikipedia — Google

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) 5.77 12.44 -62.71 2 8 -1 111 562.609 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADCY1-1-E Brain Adenylate Cyclase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY2-2-E Adenylate Cyclase Type II (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY3-2-E Adenylate Cyclase Type III (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY4-2-E Adenylate Cyclase Type IV (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY5-2-E Adenylate Cyclase Type V (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY6-2-E Adenylate Cyclase Type VI (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY7-2-E Adenylate Cyclase Type VII (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY8-1-E Adenylate Cyclase Type VIII (cluster #1 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
ADCY9-2-E Adenylate Cyclase Type IX (cluster #2 Of 2), Eukaryotic Eukaryotes 254 0.23 Binding ≤ 10μM
GIPR-1-E Gastric Inhibitory Polypeptide Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 28 0.26 Binding ≤ 10μM
GLP1R-1-E Glucagon-like Peptide Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.21 Binding ≤ 10μM
GLP1R-1-E Glucagon-like Peptide Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2536 0.20 Binding ≤ 10μM
GLR-1-E Glucagon Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 23 0.27 Binding ≤ 10μM
GLR-1-E Glucagon Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 47 0.26 Binding ≤ 10μM
GLR-1-E Glucagon Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 63 0.25 Binding ≤ 10μM
GIPR-1-E Gastric Inhibitory Polypeptide Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1300 0.21 Functional ≤ 10μM
GLR-1-E Glucagon Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 21 0.27 Functional ≤ 10μM
GLR-1-E Glucagon Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADCY2_HUMAN Q08462 Adenylate Cyclase Type II, Human 254 0.23 Binding ≤ 1μM
ADCY3_HUMAN O60266 Adenylate Cyclase Type III, Human 254 0.23 Binding ≤ 1μM
ADCY4_HUMAN Q8NFM4 Adenylate Cyclase Type IV, Human 254 0.23 Binding ≤ 1μM
ADCY9_HUMAN O60503 Adenylate Cyclase Type IX, Human 254 0.23 Binding ≤ 1μM
ADCY5_HUMAN O95622 Adenylate Cyclase Type V, Human 254 0.23 Binding ≤ 1μM
ADCY6_HUMAN O43306 Adenylate Cyclase Type VI, Human 254 0.23 Binding ≤ 1μM
ADCY7_HUMAN P51828 Adenylate Cyclase Type VII, Human 254 0.23 Binding ≤ 1μM
ADCY8_HUMAN P40145 Adenylate Cyclase Type VIII, Human 254 0.23 Binding ≤ 1μM
ADCY1_HUMAN Q08828 Brain Adenylate Cyclase 1, Human 254 0.23 Binding ≤ 1μM
GIPR_RAT P43219 Gastric Inhibitory Polypeptide Receptor, Rat 42 0.26 Binding ≤ 1μM
GIPR_HUMAN P48546 Gastric Inhibitory Polypeptide Receptor, Human 28.3 0.26 Binding ≤ 1μM
GLR_RAT P30082 Glucagon Receptor, Rat 23 0.27 Binding ≤ 1μM
GLR_HUMAN P47871 Glucagon Receptor, Human 23.4 0.27 Binding ≤ 1μM
GLP1R_HUMAN P43220 Glucagon-like Peptide Receptor, Human 1000 0.21 Binding ≤ 1μM
ADCY2_HUMAN Q08462 Adenylate Cyclase Type II, Human 254 0.23 Binding ≤ 10μM
ADCY3_HUMAN O60266 Adenylate Cyclase Type III, Human 254 0.23 Binding ≤ 10μM
ADCY4_HUMAN Q8NFM4 Adenylate Cyclase Type IV, Human 254 0.23 Binding ≤ 10μM
ADCY9_HUMAN O60503 Adenylate Cyclase Type IX, Human 254 0.23 Binding ≤ 10μM
ADCY5_HUMAN O95622 Adenylate Cyclase Type V, Human 254 0.23 Binding ≤ 10μM
ADCY6_HUMAN O43306 Adenylate Cyclase Type VI, Human 254 0.23 Binding ≤ 10μM
ADCY7_HUMAN P51828 Adenylate Cyclase Type VII, Human 254 0.23 Binding ≤ 10μM
ADCY8_HUMAN P40145 Adenylate Cyclase Type VIII, Human 254 0.23 Binding ≤ 10μM
ADCY1_HUMAN Q08828 Brain Adenylate Cyclase 1, Human 254 0.23 Binding ≤ 10μM
GIPR_HUMAN P48546 Gastric Inhibitory Polypeptide Receptor, Human 28.3 0.26 Binding ≤ 10μM
GIPR_RAT P43219 Gastric Inhibitory Polypeptide Receptor, Rat 42 0.26 Binding ≤ 10μM
GLR_HUMAN P47871 Glucagon Receptor, Human 23.4 0.27 Binding ≤ 10μM
GLR_RAT P30082 Glucagon Receptor, Rat 23 0.27 Binding ≤ 10μM
GLP1R_HUMAN P43220 Glucagon-like Peptide Receptor, Human 2536 0.20 Binding ≤ 10μM
GIPR_HUMAN P48546 Gastric Inhibitory Polypeptide Receptor, Human 1300 0.21 Functional ≤ 10μM
GLR_HUMAN P47871 Glucagon Receptor, Human 144 0.24 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adenylate cyclase activating pathway
Adenylate cyclase inhibitory pathway
Adrenaline,noradrenaline inhibits insulin secretion
CREB phosphorylation through the activation of Adenylate Cyclase
G alpha (i) signalling events
G alpha (q) signalling events
G alpha (s) signalling events
G alpha (z) signalling events
Glucagon signaling in metabolic regulation
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion
Glucagon-type ligand receptors
PKA activation
PKA activation in glucagon signalling
Vasopressin regulates renal water homeostasis via Aquaporins

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