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Ligand

NameCHEMBL469821
Molecular formulaC28H34N2O4S
IUPAC name4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(2-methylpropyl)-N-methylsulfonylbenzamide
Molecular weight494.65
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.7
SynonymsSCHEMBL4584104
4''-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-3-isobutyl-N-(methylsulfonyl)biphenyl-4-carboxamide Hydrochloride
CHEMBL1186563
BDBM50277531
Inchi KeyFKGYWDPSUXSSQK-MHZLTWQESA-N
Inchi IDInChI=1S/C28H34N2O4S/c1-20(2)17-25-18-24(13-14-26(25)28(32)30-35(3,33)34)22-11-9-21(10-12-22)15-16-29-19-27(31)23-7-5-4-6-8-23/h4-14,18,20,27,29,31H,15-17,19H2,1-3H3,(H,30,32)/t27-/m0/s1
PubChem CID11340895
ChEMBLN/A
IUPHARN/A
BindingDB50277531
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
80417Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
459949Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
80415Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
80416Beta-3 adrenergic receptorO02662ADRB3Canis lupus familiaris (Dog)405

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