salmeterol


SMILES OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O
InChIKey GIIZNNXWQWCKIB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 16
Molecular weight (Da) 415.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6MXT
Ligand site mutations β2

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pKi 7.9 7.9 7.9 Guide to Pharmacology
B2 BKRB2 Human Bradykinin A pKi 8.6 9.1 9.6 Guide to Pharmacology
B1 BKRB1 Mouse Bradykinin A pKi 6.6 6.6 6.6 Guide to Pharmacology
B2 BKRB2 Mouse Bradykinin A pKi 8.5 9.0 9.5 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pA2 7.7 7.7 7.7 Guide to Pharmacology
B2 BKRB2 Human Bradykinin A pA2 8.4 8.4 8.4 Guide to Pharmacology
B1 BKRB1 Mouse Bradykinin A pA2 6.1 6.1 6.1 Guide to Pharmacology