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Ligand

NameBDBM50088375
Molecular formulaC30H37N2O2+
IUPAC nameN-methyl-2,3-diphenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-ium-1-yl-1-oxaspiro[4.5]decan-8-yl]cycloprop-2-ene-1-carboxamide
Molecular weight457.638
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.3
Synonyms1-{8-[(2,3-Diphenyl-cycloprop-2-enecarbonyl)-methyl-amino]-1-oxa-spiro[4.5]dec-7-yl}-pyrrolidinium
Inchi KeyDVBJTNONUUBBIZ-QRQMUESOSA-O
Inchi IDInChI=1S/C30H36N2O2/c1-31(24-15-17-30(16-10-20-34-30)21-25(24)32-18-8-9-19-32)29(33)28-26(22-11-4-2-5-12-22)27(28)23-13-6-3-7-14-23/h2-7,11-14,24-25,28H,8-10,15-21H2,1H3/p+1/t24-,25-,30-/m0/s1
PubChem CID44307889
ChEMBLN/A
IUPHARN/A
BindingDB50088375
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
69769Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
69771Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
69770Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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