UCSF

ZINC03830202

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 25 Yes

CAS Numbers: 20897-91-0 , 745-65-3

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) 3.36 -2.65 -51.46 2 5 -1 97 353.479 13

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R1-2-E Prostanoid EP1 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 100 0.39 Binding ≤ 10μM
PE2R2-2-E Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 87 0.40 Binding ≤ 10μM
PE2R3-2-E Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.46 Binding ≤ 10μM
PE2R4-2-E Prostanoid EP4 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 3 0.48 Binding ≤ 10μM
PI2R-2-E Prostanoid IP Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 150 0.38 Binding ≤ 10μM
PE2R2-1-E Prostanoid EP2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.48 Functional ≤ 10μM
PI2R-1-E Prostanoid IP Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R1_MOUSE P35375 Prostanoid EP1 Receptor, Mouse 100 0.39 Binding ≤ 1μM
PE2R2_MOUSE Q62053 Prostanoid EP2 Receptor, Mouse 87 0.40 Binding ≤ 1μM
PE2R3_MOUSE P30557 Prostanoid EP3 Receptor, Mouse 5 0.46 Binding ≤ 1μM
PE2R4_MOUSE P32240 Prostanoid EP4 Receptor, Mouse 3.3 0.47 Binding ≤ 1μM
PI2R_HUMAN P43119 Prostanoid IP Receptor, Human 150 0.38 Binding ≤ 1μM
PE2R1_MOUSE P35375 Prostanoid EP1 Receptor, Mouse 100 0.39 Binding ≤ 10μM
PE2R2_MOUSE Q62053 Prostanoid EP2 Receptor, Mouse 87 0.40 Binding ≤ 10μM
PE2R3_MOUSE P30557 Prostanoid EP3 Receptor, Mouse 5 0.46 Binding ≤ 10μM
PE2R4_MOUSE P32240 Prostanoid EP4 Receptor, Mouse 3.3 0.47 Binding ≤ 10μM
PI2R_HUMAN P43119 Prostanoid IP Receptor, Human 150 0.38 Binding ≤ 10μM
PE2R2_MOUSE Q62053 Prostanoid EP2 Receptor, Mouse 2.6 0.48 Functional ≤ 10μM
PI2R_HUMAN P43119 Prostanoid IP Receptor, Human 1.8 0.49 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
G alpha (s) signalling events
Prostacyclin signalling through prostacyclin receptor
Prostanoid ligand receptors

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