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Ligand

NameMLS000679816
Molecular formulaC19H21N3O2S
IUPAC name2,2-dimethyl-N-[[(4-phenylbenzoyl)amino]carbamothioyl]propanamide
Molecular weight355.456
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP4.5
SynonymsCHEMBL1377849
MolPort-001-593-609
2,2-dimethyl-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]propanamide
KS-0000413X
SMR000296652
[ Show all ]
Inchi KeyBQQVOJSHHJPMKP-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21N3O2S/c1-19(2,3)17(24)20-18(25)22-21-16(23)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,21,23)(H2,20,22,24,25)
PubChem CID2236648
ChEMBLCHEMBL1377849
IUPHARN/A
BindingDB65328
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30567Apelin receptorP35414APLNRHomo sapiens (Human)380
30569Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
30568Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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