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Ligand

NameCHEMBL1078269
Molecular formulaC23H21N3O2S
IUPAC name4-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethylsulfonyl)pyridin-2-yl]benzonitrile
Molecular weight403.5
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50415662
Inchi KeyFMCJDOXISSESTF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21N3O2S/c24-14-17-1-5-20(6-2-17)23-8-7-22(15-26-23)29(27,28)16-18-3-4-19-9-11-25-12-10-21(19)13-18/h1-8,13,15,25H,9-12,16H2
PubChem CID46882754
ChEMBLCHEMBL1078269
IUPHARN/A
BindingDB50415662
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: 2
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GLASS IDNameUniProtGeneSpeciesLength
81804Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
81803Motilin receptorO43193MLNRHomo sapiens (Human)412

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