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Ligand

NameCHEMBL434763
Molecular formulaC29H35N5O5
IUPAC name6-[4-[2-[[(2S)-2-hydroxy-3-[(2-oxo-3-propyl-1H-benzimidazol-4-yl)oxy]propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide
Molecular weight533.629
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.8
SynonymsBDBM50193806
(S)-6-(4-(2-(2-hydroxy-3-(2-oxo-3-propyl-2,3-dihydro-1H-benzo[d]imidazol-4-yloxy)propylamino)-2-methylpropyl)phenoxy)nicotinamide
Inchi KeyBHDFOPDSNPFXBU-NRFANRHFSA-N
Inchi IDInChI=1S/C29H35N5O5/c1-4-14-34-26-23(33-28(34)37)6-5-7-24(26)38-18-21(35)17-32-29(2,3)15-19-8-11-22(12-9-19)39-25-13-10-20(16-31-25)27(30)36/h5-13,16,21,32,35H,4,14-15,17-18H2,1-3H3,(H2,30,36)(H,33,37)/t21-/m0/s1
PubChem CID44419324
ChEMBLCHEMBL434763
IUPHARN/A
BindingDB50193806
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
23651Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
23653Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
23652Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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