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Ligand

NameCHEMBL45905
Molecular formulaC29H32N6O6
IUPAC nameN-[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]-2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxospiro[8H-[1,2,4]triazolo[1,2-a]pyridazine-5,4'-piperidine]-8-carboxamide
Molecular weight560.611
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP1.8
SynonymsBDBM50143034
8''N-[1-carbamoyl-3-phenyl-(1S)-propyl]-2''-benzo[d][1,3]dioxol-5-ylmethyl-1'',3''-dioxospiro[hexahydropyridine-4,5''-(2'',3'',5'',8''-tetrahydro-1''H-[1,2,4]triazolo[1,2-a]pyridazine)]-8''-carboxamide
Inchi KeyHERXWAGCWWUDMS-HMTLIYDFSA-N
Inchi IDInChI=1S/C29H32N6O6/c30-25(36)21(8-6-19-4-2-1-3-5-19)32-26(37)22-10-11-29(12-14-31-15-13-29)35-28(39)33(27(38)34(22)35)17-20-7-9-23-24(16-20)41-18-40-23/h1-5,7,9-11,16,21-22,31H,6,8,12-15,17-18H2,(H2,30,36)(H,32,37)/t21-,22?/m0/s1
PubChem CID11398860
ChEMBLCHEMBL45905
IUPHARN/A
BindingDB50143034
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
113053Motilin receptorO43193MLNRHomo sapiens (Human)412

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