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Ligand

NameCHEMBL397690
Molecular formulaC18H19ClN2O2S
IUPAC nameN-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]methanesulfonamide
Molecular weight362.872
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
SynonymsSCHEMBL14512693
BDBM50205180
N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)methanesulfonamide
Inchi KeyAGGRDHRJDWHWOX-SCLBCKFNSA-N
Inchi IDInChI=1S/C18H19ClN2O2S/c1-13(21-24(2,22)23)18(11-14-6-8-17(19)9-7-14)16-5-3-4-15(10-16)12-20/h3-10,13,18,21H,11H2,1-2H3/t13-,18+/m0/s1
PubChem CID44425948
ChEMBLCHEMBL397690
IUPHARN/A
BindingDB50205180
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4860Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
4861Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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