UCSF

ZINC04536236

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) 2.94 5.79 -52.47 3 6 -1 110 423.913 11
Lo Low (pH 4.5-6) 2.94 3.82 -12.28 4 6 0 107 424.921 11

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 496 0.30 Binding ≤ 10μM
PE2R2-2-E Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 3700 0.26 Binding ≤ 10μM
PE2R3-2-E Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 635 0.30 Binding ≤ 10μM
PF2R-1-E Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 31 0.36 Binding ≤ 10μM
PE2R1-2-E Prostanoid EP1 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 760 0.30 Functional ≤ 10μM
PE2R3-2-E Prostanoid EP3 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 5000 0.26 Functional ≤ 10μM
PF2R-1-E Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.39 Functional ≤ 10μM
TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2400 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R1_HUMAN P34995 Prostanoid EP1 Receptor, Human 496 0.30 Binding ≤ 1μM
PE2R3_HUMAN P43115 Prostanoid EP3 Receptor, Human 635 0.30 Binding ≤ 1μM
PF2R_HUMAN P43088 Prostanoid FP Receptor, Human 1 0.43 Binding ≤ 1μM
PE2R1_HUMAN P34995 Prostanoid EP1 Receptor, Human 496 0.30 Binding ≤ 10μM
PE2R2_HUMAN P43116 Prostanoid EP2 Receptor, Human 3700 0.26 Binding ≤ 10μM
PE2R3_HUMAN P43115 Prostanoid EP3 Receptor, Human 635 0.30 Binding ≤ 10μM
PF2R_HUMAN P43088 Prostanoid FP Receptor, Human 1 0.43 Binding ≤ 10μM
PE2R1_HUMAN P34995 Prostanoid EP1 Receptor, Human 760 0.30 Functional ≤ 10μM
PE2R3_HUMAN P43115 Prostanoid EP3 Receptor, Human 5000 0.26 Functional ≤ 10μM
PF2R_HUMAN P43088 Prostanoid FP Receptor, Human 10 0.39 Functional ≤ 10μM
TA2R_HUMAN P21731 Thromboxane A2 Receptor, Human 2400 0.27 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (12/13) signalling events
G alpha (i) signalling events
G alpha (q) signalling events
G alpha (s) signalling events
Prostanoid ligand receptors
Thromboxane signalling through TP receptor

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