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Ligand

NameCHEMBL1081860
Molecular formulaC21H21N5O2S
IUPAC name4-cyano-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]benzenesulfonamide
Molecular weight407.492
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.3
SynonymsBDBM50311417
N-(3-((1H-pyrazol-3-yl)methyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-4-cyanobenzenesulfonamide
Inchi KeyDRIFJIZBEOCUBL-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N5O2S/c22-14-16-1-5-21(6-2-16)29(27,28)25-19-4-3-17-8-11-26(12-9-18(17)13-19)15-20-7-10-23-24-20/h1-7,10,13,25H,8-9,11-12,15H2,(H,23,24)
PubChem CID46882461
ChEMBLCHEMBL1081860
IUPHARN/A
BindingDB50311417
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
66992Motilin receptorO43193MLNRHomo sapiens (Human)412

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