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Ligand

Name(1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene
Molecular formulaC12H22O4S2
IUPAC name(1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene
Molecular weight294.424
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.1
SynonymsMLS000085704
AC1NR8NK
ZINC32219910
HMS2286C05
SMR000020833
[ Show all ]
Inchi KeyAWAPBXGSDGWNHK-OXAWKVHCSA-N
Inchi IDInChI=1S/C12H22O4S2/c1-3-5-9-17(13,14)11-7-8-12-18(15,16)10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b11-7-,12-8-
PubChem CID5286934
ChEMBLCHEMBL1563483
IUPHARN/A
BindingDB38993
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: 9
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GLASS IDNameUniProtGeneSpeciesLength
15840Apelin receptorP35414APLNRHomo sapiens (Human)380
15839Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
15834Lutropin-choriogonadotropic hormone receptorP22888LHCGRHomo sapiens (Human)699
15836Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
15833Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
15837Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
15841Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
15838Thyrotropin receptorP16473TSHRHomo sapiens (Human)764
15835Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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