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Ligand

NameCHEMBL286126
Molecular formulaC26H34N4O9S
IUPAC name(2S)-2-[[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]amino]pentanedioic acid
Molecular weight578.637
Hydrogen bond acceptor12
Hydrogen bond donor7
XlogP-1.9
Synonyms(2S)-2-[(4-{4-[((2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}-ethyl)amino]-1-piperidinyl}benzoyl)amino]pentanedioic acid
AZINCISUKKFOHZ-REWPJTCUSA-N
(2S)-2-[(4-{4-[((2R)-2-Hydroxy-2-[4-hydroxy-3-[(methylsulfonyl)amino]phenyl}-ethyl)amino]-1-piperidinyl}benzoyl)amino]pentanedioic acid
2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-benzoylamino)-pentanedioic acid
BDBM50098669
[ Show all ]
Inchi KeyAZINCISUKKFOHZ-REWPJTCUSA-N
Inchi IDInChI=1S/C26H34N4O9S/c1-40(38,39)29-21-14-17(4-8-22(21)31)23(32)15-27-18-10-12-30(13-11-18)19-5-2-16(3-6-19)25(35)28-20(26(36)37)7-9-24(33)34/h2-6,8,14,18,20,23,27,29,31-32H,7,9-13,15H2,1H3,(H,28,35)(H,33,34)(H,36,37)/t20-,23-/m0/s1
PubChem CID10627031
ChEMBLCHEMBL286126
IUPHARN/A
BindingDB50098669
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18187Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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