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Ligand

NameMLS001124454
Molecular formulaC20H21N5O2S
IUPAC name4-(8-methyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)-N-(1-phenylethyl)butanamide
Molecular weight395.481
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.3
SynonymsCHEMBL1466036
AKOS001914550
HMS1638A09
SMR000628761
HMS2960M24
Inchi KeyGDFKLZMHROONIC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N5O2S/c1-13(14-7-4-3-5-8-14)21-17(26)10-6-9-16-22-23-20-24(2)19(27)18-15(25(16)20)11-12-28-18/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,21,26)
PubChem CID20904553
ChEMBLCHEMBL1466036
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
93589Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
93588Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
93587Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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