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Ligand

NameCHEMBL2112663
Molecular formulaC28H43N3O6S2
IUPAC name2-amino-N-[[(1S,2S,4R)-2-hydroxy-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-3-methylsulfonylpropanamide
Molecular weight581.787
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP1.7
SynonymsBDBM50407010
Inchi KeyFEVGJJNJVGFMJE-QBVGELNHSA-N
Inchi IDInChI=1S/C28H43N3O6S2/c1-25(2)21-9-11-27(25,28(33,16-21)18-30-24(32)23(29)17-38(3,34)35)19-39(36,37)31-14-12-26(13-15-31)10-8-20-6-4-5-7-22(20)26/h4-7,21,23,33H,8-19,29H2,1-3H3,(H,30,32)/t21-,23?,27+,28-/m1/s1
PubChem CID71449094
ChEMBLCHEMBL2112663
IUPHARN/A
BindingDB50407010
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
76679Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
76680Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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