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Ligand

NameCHEMBL1078207
Molecular formulaC26H26N4O2S
IUPAC name4-phenyl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]benzenesulfonamide
Molecular weight458.58
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50415669
Inchi KeyGSIRAOVJCFHRIN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N4O2S/c31-33(32,26-10-7-21(8-11-26)20-4-2-1-3-5-20)29-24-9-6-22-13-16-30(17-14-23(22)18-24)19-25-12-15-27-28-25/h1-12,15,18,29H,13-14,16-17,19H2,(H,27,28)
PubChem CID46882521
ChEMBLCHEMBL1078207
IUPHARN/A
BindingDB50415669
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: 5
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GLASS IDNameUniProtGeneSpeciesLength
1041525-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
104155D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
104153D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
104154Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
104151Motilin receptorO43193MLNRHomo sapiens (Human)412

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