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Ligand

NameCHEMBL101606
Molecular formulaC25H31N5O8S2
IUPAC name1-[4-[4-[[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]pyrazole-4-carboxylic acid
Molecular weight593.67
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-1.9
SynonymsBDBM50119193
SCHEMBL7139356
1-[4-(4-{[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-1H-pyrazole-4-carboxylic acid
1-[4-[4-[[[(2R)-2-Hydroxy-2-[3-(methylsulfonylamino)-4-hydroxyphenyl]ethyl]amino]methyl]piperidinosulfonyl]phenyl]-1H-pyrazole-4-carboxylic acid
AYDIROIWJSURNI-DEOSSOPVSA-N
[ Show all ]
Inchi KeyAYDIROIWJSURNI-DEOSSOPVSA-N
Inchi IDInChI=1S/C25H31N5O8S2/c1-39(35,36)28-22-12-18(2-7-23(22)31)24(32)15-26-13-17-8-10-29(11-9-17)40(37,38)21-5-3-20(4-6-21)30-16-19(14-27-30)25(33)34/h2-7,12,14,16-17,24,26,28,31-32H,8-11,13,15H2,1H3,(H,33,34)/t24-/m0/s1
PubChem CID10121328
ChEMBLCHEMBL101606
IUPHARN/A
BindingDB50119193
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
17347Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
17348Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
17346Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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