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Ligand

NameCHEMBL293818
Molecular formulaC29H39N5O4S
IUPAC name3-hexyl-1-[4-[[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]-1-methylurea
Molecular weight553.722
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.6
SynonymsBDBM50078807
N-[4-[2-[[(R)-2-(3-Pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-4-(1-methyl-3-hexylureido)benzenesulfonamide
3-hexyl-1-(4-{[4-(2-{[(2R)-2-hydroxy-2-(pyridin-3-yl)ethyl]amino}ethyl)phenyl]sulfamoyl}phenyl)-1-methylurea
Inchi KeyBFLYSOCQKSZVHK-NDEPHWFRSA-N
Inchi IDInChI=1S/C29H39N5O4S/c1-3-4-5-6-19-32-29(36)34(2)26-13-15-27(16-14-26)39(37,38)33-25-11-9-23(10-12-25)17-20-31-22-28(35)24-8-7-18-30-21-24/h7-16,18,21,28,31,33,35H,3-6,17,19-20,22H2,1-2H3,(H,32,36)/t28-/m0/s1
PubChem CID44298767
ChEMBLCHEMBL293818
IUPHARN/A
BindingDB50078807
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
22427Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
22428Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
22426Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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