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Ligand

NameMLS000547068
Molecular formulaC22H23ClN2O4S
IUPAC name(Z)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Molecular weight446.946
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogPNone
SynonymsCHEMBL1339676
REGID_for_CID_9549749
HMS2350H08
SMR000113867
Inchi KeyCRIUKHLDPKZTLO-BTJKTKAUSA-N
Inchi IDInChI=1S/C18H19ClN2S.C4H4O4/c19-14-5-6-18-15(12-14)16(21-9-7-20-8-10-21)11-13-3-1-2-4-17(13)22-18;5-3(6)1-2-4(7)8/h1-6,12,16,20H,7-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
PubChem CID9549749
ChEMBLCHEMBL1339676
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
48814Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
48815Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
48813Oxytocin receptorP30559OXTRHomo sapiens (Human)389
48816Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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