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Ligand

NameCHEMBL431048
Molecular formulaC30H37F2N5O8S2
IUPAC name1-[(2,5-difluorophenyl)methyl]-3-[4-[4-[[[(2S)-2-hydroxy-3-[4-hydroxy-3-(methanesulfonamido)phenoxy]propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]urea
Molecular weight697.77
Hydrogen bond acceptor13
Hydrogen bond donor6
XlogP1.7
Synonyms1-(2,5-Difluorobenzyl)-3-[4-[4-[[[(2S)-2-hydroxy-3-[3-(methylsulfonylamino)-4-hydroxyphenoxy]propyl]amino]methyl]piperidinosulfonyl]phenyl]urea
SCHEMBL7137130
BHZXRWNFNZHPOG-DEOSSOPVSA-N
N-(5-{(2S)-3-[(1-{4-[3-(2,5-Difluoro-benzyl)-ureido]-benzenesulfonyl}-piperidin-4-ylmethyl)-amino]-2-hydroxy-propoxy}-2-hydroxy-phenyl)-methanesulfonamide
N-(5-{(S)-3-[(1-{4-[3-(2,5-Difluoro-benzyl)-ureido]-benzenesulfonyl}-piperidin-4-ylmethyl)-amino]-2-hydroxy-propoxy}-2-hydroxy-phenyl)-methanesulfonamide
[ Show all ]
Inchi KeyBHZXRWNFNZHPOG-DEOSSOPVSA-N
Inchi IDInChI=1S/C30H37F2N5O8S2/c1-46(41,42)36-28-15-25(5-9-29(28)39)45-19-24(38)18-33-16-20-10-12-37(13-11-20)47(43,44)26-6-3-23(4-7-26)35-30(40)34-17-21-14-22(31)2-8-27(21)32/h2-9,14-15,20,24,33,36,38-39H,10-13,16-19H2,1H3,(H2,34,35,40)/t24-/m0/s1
PubChem CID10283539
ChEMBLCHEMBL431048
IUPHARN/A
BindingDB50119187
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This 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
24242Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
24241Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
24243Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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