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Ligand

NameCHEMBL445481
Molecular formulaC29H35N3O5S
IUPAC name2-cyclohexyloxy-4-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-N-methylsulfonylbenzamide
Molecular weight537.675
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.8
SynonymsBDBM50277509
SCHEMBL4585189
3-(Cyclohexyloxy)-4''-(2-{[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino}ethyl)-N-(methylsulfonyl)biphenyl-4-carboxamide Dihydrochloride
CHEMBL1186009
Inchi KeyYLQMAAMFQNYJDU-MHZLTWQESA-N
Inchi IDInChI=1S/C29H35N3O5S/c1-38(35,36)32-29(34)26-14-13-23(18-28(26)37-25-7-3-2-4-8-25)22-11-9-21(10-12-22)15-17-31-20-27(33)24-6-5-16-30-19-24/h5-6,9-14,16,18-19,25,27,31,33H,2-4,7-8,15,17,20H2,1H3,(H,32,34)/t27-/m0/s1
PubChem CID11272641
ChEMBLN/A
IUPHARN/A
BindingDB50277509
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
413196Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
462728Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
413195Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
413197Beta-3 adrenergic receptorO02662ADRB3Canis lupus familiaris (Dog)405

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