Ligand Data

Ligand

id 3974
Name (R)-Isoproterenol
SMILES CC(C)NC[C@@H](C1=CC(=C(C=C1)O)O)O
InChIKey JWZZKOKVBUJMES-NSHDSACASA-N
Type small-molecule
External Links
Structure pdb 2Y03 6H7J 7JJO 7DHR
Ligand site mutations β1 β2

Structure

Properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight 211.1


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
β2 ADRB2 Golden hamster Adrenoceptors A (Rhodopsin) 20.0 20.0 20.0
β1 B0FL73 Guinea pig Adrenoceptors A (Rhodopsin) 2.2 2.2 2.2
β2 ADRB2 Guinea pig Adrenoceptors A (Rhodopsin) 3.0 3.0 3.0
M1 ACM1 Rat Acetylcholine (muscarinic) A (Rhodopsin) 12589 12589 12589
β1 ADRB1 Human Adrenoceptors A (Rhodopsin) 7.9 35.9 52.5
β3 ADRB3 Human Adrenoceptors A (Rhodopsin) 39.8 39.8 39.8
β2 ADRB2 Human Adrenoceptors A (Rhodopsin) 0.1 23.0 46.0 6.3 27.4 45.7
TSH TSHR Human Glycoprotein hormone A (Rhodopsin) 39.8 873.6 3162.3