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Ligand

NameMLS002608817
Molecular formulaC31H37N5O5
IUPAC name2-[(1S,12bS)-9-methoxy-12b-methyl-1-(morpholine-4-carbonyl)-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
Molecular weight559.667
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.0
SynonymsCHEMBL3184184
HMS3102M21
SMR001530046
Inchi KeyACUDCEZEYQBXGB-AZDYFCNWSA-N
Inchi IDInChI=1S/C31H37N5O5/c1-31-25(30(39)35-13-15-41-16-14-35)17-20(18-27(37)33-11-8-21-5-3-4-10-32-21)29(38)36(31)12-9-23-24-19-22(40-2)6-7-26(24)34-28(23)31/h3-7,10,19-20,25,34H,8-9,11-18H2,1-2H3,(H,33,37)/t20?,25-,31+/m1/s1
PubChem CID44601753
ChEMBLCHEMBL3184184
IUPHARN/A
BindingDBN/A
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
463175Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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