| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 27 | Yes |
Popular Name: 16,16-Dimethyl prostaglandin f2alpha 16,16-Dimethyl prostaglandin f2a…
Find On: PubMed — Wikipedia — Google
CAS Number: 39746-23-1
| 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) | 3.71 | 5.16 | -54.97 | 3 | 5 | -1 | 101 | 381.533 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.71 | 4.04 | -14.14 | 4 | 5 | 0 | 98 | 382.541 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PF2R-1-E | Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 16 | 0.40 | Binding ≤ 10μM |
| PE2R1-2-E | Prostanoid EP1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 300 | 0.34 | Functional ≤ 10μM |
| PE2R3-2-E | Prostanoid EP3 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2000 | 0.30 | Functional ≤ 10μM |
| PF2R-1-E | Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 90 | 0.37 | Functional ≤ 10μM |
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 24 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PF2R_HUMAN | P43088 | Prostanoid FP Receptor, Human | 16 | 0.40 | Binding ≤ 1μM |
| PF2R_HUMAN | P43088 | Prostanoid FP Receptor, Human | 16 | 0.40 | Binding ≤ 10μM |
| PE2R1_HUMAN | P34995 | Prostanoid EP1 Receptor, Human | 300 | 0.34 | Functional ≤ 10μM |
| PE2R3_HUMAN | P43115 | Prostanoid EP3 Receptor, Human | 2000 | 0.30 | Functional ≤ 10μM |
| PF2R_HUMAN | P43088 | Prostanoid FP Receptor, Human | 90 | 0.37 | Functional ≤ 10μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 24 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (12/13) signalling events | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Prostanoid ligand receptors | |
| Thromboxane signalling through TP receptor |
No pre-computed analogs available. Try a structural similarity search.