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Ligand

NameCHEMBL1773264
Molecular formulaC42H57N3O6S
IUPAC nameN-[5-[(1R)-2-[2-[4-[4-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]butoxy]phenyl]ethylamino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
Molecular weight731.993
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP7.2
SynonymsBDBM50343157
N-(5-((R)-2-(4-(4-(3-((R)-3-(diisopropylamino)-1-phenylpropyl)-4-hydroxyphenyl)butoxy)phenethylamino)-1-hydroxyethyl)-2-hydroxyphenyl)methanesulfonamide
N-{5-[(1R)-2-({2-[4-(4-{3-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-hydroxyphenyl}butoxy)phenyl]ethyl}amino)-1-hydroxyethyl]-2-hydroxyphenyl}methanesulfonamide
AFTLTCTXIJHBOV-RZLWBAEQSA-N
SCHEMBL4160120
Inchi KeyAFTLTCTXIJHBOV-RZLWBAEQSA-N
Inchi IDInChI=1S/C42H57N3O6S/c1-30(2)45(31(3)4)25-23-37(34-12-7-6-8-13-34)38-27-33(16-20-40(38)46)11-9-10-26-51-36-18-14-32(15-19-36)22-24-43-29-42(48)35-17-21-41(47)39(28-35)44-52(5,49)50/h6-8,12-21,27-28,30-31,37,42-44,46-48H,9-11,22-26,29H2,1-5H3/t37-,42+/m1/s1
PubChem CID54583100
ChEMBLCHEMBL1773264
IUPHARN/A
BindingDB50343157
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4475Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
4474Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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