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Ligand

NameCHEMBL402501
Molecular formulaC30H40N2O4
IUPAC nameN-(1-adamantyl)-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide
Molecular weight492.66
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP4.2
SynonymsSCHEMBL523340
BDBM50326546
N-adamantan-1-yl-2-(3-{(R)-2-[(R)-2-hydroxy-2-(4-hydroxy-3-hydroxymethyl-phenyl)-ethylamino]-propyl}-phenyl)-acetamide
Inchi KeyAKGAYMDCLUSCDA-QLYZNEQGSA-N
Inchi IDInChI=1S/C30H40N2O4/c1-19(31-17-28(35)25-5-6-27(34)26(13-25)18-33)7-20-3-2-4-21(8-20)12-29(36)32-30-14-22-9-23(15-30)11-24(10-22)16-30/h2-6,8,13,19,22-24,28,31,33-35H,7,9-12,14-18H2,1H3,(H,32,36)/t19-,22?,23?,24?,28+,30?/m1/s1
PubChem CID11420492
ChEMBLCHEMBL402501
IUPHARN/A
BindingDB50326546
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7506Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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