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Ligand

NameSMR000624799
Molecular formulaC17H22ClN3O5S3
IUPAC name2-[4-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol
Molecular weight480.009
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP2.2
Synonyms2-(4-{4-[(4-chlorophenyl)sulfonyl]-2-(ethylsulfonyl)-1,3-thiazol-5-yl}piperazin-1-yl)ethanol
4-[(4-chlorophenyl)sulfonyl]-2-(ethylsulfonyl)-5-[4-(2-hydroxyethyl)piperaziny l]-1,3-thiazole
HMS2958K04
Z440829516
AKOS001867663
[ Show all ]
Inchi KeyFBVBNYPBBUIBRN-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H22ClN3O5S3/c1-2-28(23,24)17-19-15(29(25,26)14-5-3-13(18)4-6-14)16(27-17)21-9-7-20(8-10-21)11-12-22/h3-6,22H,2,7-12H2,1H3
PubChem CID20888797
ChEMBLCHEMBL1506053
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
74589Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
74591Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
74590Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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