UCSF

ZINC03940802

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 29 Yes

Popular Name: 7-[2-[5-(2-fluorophenyl)-3-hydroxy-pentyl]-3,5-dihydroxy-cyclopentyl]heptanoic 7-[2-[5-(2-fluorophenyl)-3-hydro…

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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) 4.04 -4.5 -52.54 3 5 -1 100 409.518 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 3100 0.27 Binding ≤ 10μM
PF2R-1-E Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 76 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PF2R_HUMAN P43088 Prostanoid FP Receptor, Human 76 0.34 Binding ≤ 1μM
PE2R1_HUMAN P34995 Prostanoid EP1 Receptor, Human 3100 0.27 Binding ≤ 10μM
PF2R_HUMAN P43088 Prostanoid FP Receptor, Human 76 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Prostanoid ligand receptors

Rings

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

No pre-computed analogs available. Try a structural similarity search.