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Ligand

NameCHEMBL101132
Molecular formulaC27H33N5O6S
IUPAC name1-[4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]-3-pyridin-2-ylurea
Molecular weight555.65
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP1.9
SynonymsBDBM50119188
SCHEMBL7134017
1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-3-pyridin-2-yl-urea
Inchi KeyAXGGLNIULOYTOM-QHCPKHFHSA-N
Inchi IDInChI=1S/C27H33N5O6S/c33-22-6-8-24(9-7-22)38-19-23(34)18-28-17-20-12-15-32(16-13-20)39(36,37)25-10-4-21(5-11-25)30-27(35)31-26-3-1-2-14-29-26/h1-11,14,20,23,28,33-34H,12-13,15-19H2,(H2,29,30,31,35)/t23-/m0/s1
PubChem CID10166311
ChEMBLCHEMBL101132
IUPHARN/A
BindingDB50119188
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
16677Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
16678Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
16676Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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