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Ligand

NameCHEMBL221188
Molecular formulaC31H37N5O5
IUPAC name6-[4-[2-[[(2S)-3-[[3-(2-cyclopropylethyl)-2-oxo-1H-benzimidazol-4-yl]oxy]-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide
Molecular weight559.667
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.4
SynonymsBDBM50193805
(S)-6-(4-(2-(3-(3-(2-cyclopropylethyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-4-yloxy)-2-hydroxypropylamino)-2-methylpropyl)phenoxy)nicotinamide
Inchi KeyFYTAWHRFZVJYPT-QHCPKHFHSA-N
Inchi IDInChI=1S/C31H37N5O5/c1-31(2,16-21-8-11-24(12-9-21)41-27-13-10-22(17-33-27)29(32)38)34-18-23(37)19-40-26-5-3-4-25-28(26)36(30(39)35-25)15-14-20-6-7-20/h3-5,8-13,17,20,23,34,37H,6-7,14-16,18-19H2,1-2H3,(H2,32,38)(H,35,39)/t23-/m0/s1
PubChem CID44419316
ChEMBLCHEMBL221188
IUPHARN/A
BindingDB50193805
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
90529Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
90527Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
90528Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400
90530Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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