Ligand Data

Ligand

id 2900
Name PGE2
SMILES CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
InChIKey XEYBRNLFEZDVAW-ARSRFYASSA-N
Type small-molecule
External Links
Structure pdb 6AK3 7CX2 7D7M

Structure

Properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight 352.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
EP2 PE2R2 Rat Prostanoid A (Rhodopsin) 5.2 5.2 5.2 0.2 9.6 19.0
EP4 PE2R4 Rat Prostanoid A (Rhodopsin) 2.1 2.1 2.1 0.7 2.1 3.5
EP1 PE2R1 Mouse Prostanoid A (Rhodopsin) 6.0 6.0 6.0
EP2 PE2R2 Mouse Prostanoid A (Rhodopsin) 22.0 22.0 22.0
EP4 PE2R4 Mouse Prostanoid A (Rhodopsin) 3.1 3.1 3.1
EP3 PE2R3 Mouse Prostanoid A (Rhodopsin) 5.0 5.0 5.0
FP PF2R Human Prostanoid A (Rhodopsin) 250 250 250
IP PI2R Human Prostanoid A (Rhodopsin) 260 260 260 347 347 347
EP2 PE2R2 Human Prostanoid A (Rhodopsin) 1.0 9.4 38.0 1.9 138.1 346.0
EP1 PE2R1 Human Prostanoid A (Rhodopsin) 1.1 9.4 18.0 3.7 3.7 3.7
EP3 PE2R3 Human Prostanoid A (Rhodopsin) 0.3 2.1 5.0 2.5 2.5 2.5
EP4 PE2R4 Human Prostanoid A (Rhodopsin) 0.1 2.0 9.9 0.0 2.8 7.5
TSH TSHR Human Glycoprotein hormone A (Rhodopsin) 10.0 10.0 10.0