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Ligand

NameCHEMBL41607
Molecular formulaC32H52N2O9
IUPAC name(2S)-1-[4-[2-[2-[2-[2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular weight608.773
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP2.6
SynonymsN/A
Inchi KeyGHNPQERUXIFVLF-NSOVKSMOSA-N
Inchi IDInChI=1S/C32H52N2O9/c1-25(2)33-21-27(35)23-42-31-9-5-29(6-10-31)40-19-17-38-15-13-37-14-16-39-18-20-41-30-7-11-32(12-8-30)43-24-28(36)22-34-26(3)4/h5-12,25-28,33-36H,13-24H2,1-4H3/t27-,28-/m0/s1
PubChem CID13208920
ChEMBLCHEMBL41607
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
96654Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
96652Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415
96653Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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