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Ligand

NameCHEMBL556852
Molecular formulaC30H37N3O5S
IUPAC name4-[4-[2-[[(2R)-2-(4-aminophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-cyclohexyloxy-N-methylsulfonylbenzamide
Molecular weight551.702
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.2
SynonymsCHEMBL452134
BDBM50249638
4''-(2-{[(2R)-2-(4-Aminophenyl)-2-hydroxyethyl]amino}ethyl)-3-(cyclohexyloxy)-N-(methylsulfonyl)biphenyl-4-carboxamide Dihydrochloride
Inchi KeyVTKMLZIGOBSURB-NDEPHWFRSA-N
Inchi IDInChI=1S/C30H37N3O5S/c1-39(36,37)33-30(35)27-16-13-24(19-29(27)38-26-5-3-2-4-6-26)22-9-7-21(8-10-22)17-18-32-20-28(34)23-11-14-25(31)15-12-23/h7-16,19,26,28,32,34H,2-6,17-18,20,31H2,1H3,(H,33,35)/t28-/m0/s1
PubChem CID42639656
ChEMBLCHEMBL556852
IUPHARN/A
BindingDB50249638
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
363852Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
363851Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
363853Beta-3 adrenergic receptorO02662ADRB3Canis lupus familiaris (Dog)405

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