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Ligand

NameBDBM50043148
Molecular formulaC32H43N5O4S
IUPAC name3-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)imidazol-2-one
Molecular weight593.787
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
Synonyms3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-1-[3-(1H-1-imidazolyl)propyl]tetrahydro-1H-2,4-imidazoledione
Inchi KeyCKECCXZFMMIVRS-UQXOEWSESA-N
Inchi IDInChI=1S/C32H43N5O4S/c1-30(2)25-9-11-32(30,27(20-25)37-28(38)21-35(29(37)39)16-5-15-34-19-14-33-23-34)22-42(40,41)36-17-12-31(13-18-36)10-8-24-6-3-4-7-26(24)31/h3-4,6-7,14,19,21,23,25,27,38H,5,8-13,15-18,20,22H2,1-2H3/t25-,27+,32-/m1/s1
PubChem CID91929302
ChEMBLN/A
IUPHARN/A
BindingDB50043148
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43958Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
43957Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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