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Ligand

NameCHEMBL1078695
Molecular formulaC30H31N3O2
IUPAC nameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenylethyl)benzamide
Molecular weight465.597
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.6
SynonymsBDBM50313973
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-4-phenethylbenzamide
Inchi KeyAKRPUMDJXZZYRZ-LJAQVGFWSA-N
Inchi IDInChI=1S/C30H31N3O2/c34-29(27-7-4-19-31-21-27)22-32-20-18-25-12-16-28(17-13-25)33-30(35)26-14-10-24(11-15-26)9-8-23-5-2-1-3-6-23/h1-7,10-17,19,21,29,32,34H,8-9,18,20,22H2,(H,33,35)/t29-/m0/s1
PubChem CID46882084
ChEMBLCHEMBL1078695
IUPHARN/A
BindingDB50313973
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7841Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
7840Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
7839Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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