UCSF

ZINC34587824

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 34 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) 2.17 12.28 -44.3 0 5 -1 79 496.502 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R1-1-E Prostanoid EP1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4590 0.22 Binding ≤ 10μM
PE2R2-1-E Prostanoid EP2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2270 0.23 Binding ≤ 10μM
PE2R3-1-E Prostanoid EP3 Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 830 0.25 Binding ≤ 10μM
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6610 0.21 Binding ≤ 10μM
PF2R-1-E Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4320 0.22 Binding ≤ 10μM
PD2R-1-E Prostanoid DP Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.35 Functional ≤ 10μM
TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 338 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R3_HUMAN P43115 Prostanoid EP3 Receptor, Human 830 0.25 Binding ≤ 1μM
PE2R1_HUMAN P34995 Prostanoid EP1 Receptor, Human 4590 0.22 Binding ≤ 10μM
PE2R2_HUMAN P43116 Prostanoid EP2 Receptor, Human 2270 0.23 Binding ≤ 10μM
PE2R3_HUMAN P43115 Prostanoid EP3 Receptor, Human 830 0.25 Binding ≤ 10μM
PE2R4_HUMAN P35408 Prostanoid EP4 Receptor, Human 6610 0.21 Binding ≤ 10μM
PF2R_HUMAN P43088 Prostanoid FP Receptor, Human 4320 0.22 Binding ≤ 10μM
PD2R_HUMAN Q13258 Prostanoid DP Receptor, Human 0.43 0.39 Functional ≤ 10μM
TA2R_HUMAN P21731 Thromboxane A2 Receptor, Human 338 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% )