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Ligand

NameCHEMBL3298692
Molecular formulaC32H38N4O6
IUPAC nametert-butyl N-[2-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]anilino]phenoxy]ethyl]carbamate
Molecular weight574.678
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP3.9
SynonymsBDBM50021877
Inchi KeyABNDMYBELMAXRP-NDEPHWFRSA-N
Inchi IDInChI=1S/C32H38N4O6/c1-32(2,3)42-31(40)34-18-19-41-24-10-8-23(9-11-24)35-22-6-4-21(5-7-22)16-17-33-20-28(38)25-12-14-27(37)30-26(25)13-15-29(39)36-30/h4-15,28,33,35,37-38H,16-20H2,1-3H3,(H,34,40)(H,36,39)/t28-/m0/s1
PubChem CID90645345
ChEMBLCHEMBL3298692
IUPHARN/A
BindingDB50021877
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
974Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
973Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
975Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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