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Ligand

NameBDBM50187327
Molecular formulaC27H33N4O4S+
IUPAC name[1-[[(2R)-1-(1,1-dioxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]azanium
Molecular weight509.645
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.1
Synonyms1-{[(2R)-1-{1,1-dioxo-2H-spiro[1-benzothiophene-3,4''-piperidine]-1''-yl}-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}-1-methylethan-1-aminium
Inchi KeyBDOOTOZOBIQTOH-JOCHJYFZSA-O
Inchi IDInChI=1S/C27H32N4O4S/c1-26(2,28)25(33)30-22(15-18-16-29-21-9-5-3-7-19(18)21)24(32)31-13-11-27(12-14-31)17-36(34,35)23-10-6-4-8-20(23)27/h3-10,16,22,29H,11-15,17,28H2,1-2H3,(H,30,33)/p+1/t22-/m1/s1
PubChem CID44411633
ChEMBLN/A
IUPHARN/A
BindingDB50187327
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
21124Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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