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Ligand

NameCHEMBL554852
Molecular formulaC32H40N4O4
IUPAC nameethyl 2-[(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate
Molecular weight544.696
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.7
SynonymsBDBM50403633
SCHEMBL2581943
CHEMBL1195548
Inchi KeyMYQAPLQODBOKJG-KDYSTLNUSA-N
Inchi IDInChI=1S/C32H40N4O4/c1-4-40-28(37)18-21-19-32(25-11-7-5-9-23(21)25)13-15-36(16-14-32)29(38)27(35-30(39)31(2,3)33)17-22-20-34-26-12-8-6-10-24(22)26/h5-12,20-21,27,34H,4,13-19,33H2,1-3H3,(H,35,39)/t21-,27+/m0/s1
PubChem CID44314963
ChEMBLN/A
IUPHARN/A
BindingDB50403633
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
217327Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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