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Ligand

NameCHEMBL3667561
Molecular formulaC18H19BrN2O3S2
IUPAC name(2S)-1-(4-bromophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
Molecular weight455.385
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM154934
US9000029, 13
Inchi KeyABBWCZLJPRXWMF-KRWDZBQOSA-N
Inchi IDInChI=1S/C18H19BrN2O3S2/c1-25-15-5-2-4-14(12-15)20-18(22)17-6-3-11-21(17)26(23,24)16-9-7-13(19)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,20,22)/t17-/m0/s1
PubChem CID42064330
ChEMBLCHEMBL3667561
IUPHARN/A
BindingDB154934
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
729Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
730Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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