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Ligand

NameSCHEMBL16446669
Molecular formulaC21H26N6O2S
IUPAC name[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone
Molecular weight426.539
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM101898
US9695163, 24
Inchi KeyAIXHGBDMNYPTQL-UKRRQHHQSA-N
Inchi IDInChI=1S/C21H26N6O2S/c1-13-9-10-15(19-24-18(14(2)30-19)21(3,4)29)11-26(13)20(28)16-7-5-6-8-17(16)27-23-12-22-25-27/h5-8,12-13,15,29H,9-11H2,1-4H3/t13-,15-/m1/s1
PubChem CID117858703
ChEMBLN/A
IUPHARN/A
BindingDB101898
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557471Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
557470Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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