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Ligand

NameMLS001250385
Molecular formulaC18H22N2O5
IUPAC namedimethyl (3S)-3-cyclohexyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylate
Molecular weight346.383
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM78423
cid_24856324
SR-01000786811-4
(3S)-3-cyclohexyl-4-keto-3-phenyl-diazetidine-1,2-dicarboxylic acid dimethyl ester
HMS2205C06
[ Show all ]
Inchi KeyAAVLLOQMPXZIFJ-GOSISDBHSA-N
Inchi IDInChI=1S/C18H22N2O5/c1-24-16(22)19-15(21)18(20(19)17(23)25-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3/t18-/m1/s1
PubChem CID24856324
ChEMBLCHEMBL1397381
IUPHARN/A
BindingDBN/A
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
569Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
463021Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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