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Ligand

NameMLS002164468
Molecular formulaC20H28N6OS
IUPAC name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
Molecular weight400.545
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.8
SynonymsMCULE-5669073000
2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
BDBM97163
SMR001246841
2-[(1-cyclopropyltetrazol-5-yl)thio]-1-[4-(4-isopropylbenzyl)piperazino]ethanone
[ Show all ]
Inchi KeyDBQUNKYLWWHSNA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H28N6OS/c1-15(2)17-5-3-16(4-6-17)13-24-9-11-25(12-10-24)19(27)14-28-20-21-22-23-26(20)18-7-8-18/h3-6,15,18H,7-14H2,1-2H3
PubChem CID9261962
ChEMBLCHEMBL1357535
IUPHARN/A
BindingDB97163
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
55934Galanin receptor type 3O60755GALR3Homo sapiens (Human)368
55933Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
469836Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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