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Ligand

NameCHEMBL285739
Molecular formulaC33H40Cl2N4O6
IUPAC name(2S)-2-[[5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoyl]amino]-4-[benzyl(methyl)amino]-4-oxobutanoic acid
Molecular weight659.605
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.7
SynonymsBDBM50048746
(S)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoylamino]-N-benzyl-N-methyl-succinamic acid
Inchi KeyAZJJYLZQEJYCFL-GEVKEYJPSA-N
Inchi IDInChI=1S/C33H40Cl2N4O6/c1-38(21-22-7-3-2-4-8-22)29(41)20-27(32(44)45)36-28(40)10-9-26(37-30(42)23-17-24(34)19-25(35)18-23)31(43)39-15-13-33(14-16-39)11-5-6-12-33/h2-4,7-8,17-19,26-27H,5-6,9-16,20-21H2,1H3,(H,36,40)(H,37,42)(H,44,45)/t26?,27-/m0/s1
PubChem CID44280350
ChEMBLCHEMBL285739
IUPHARN/A
BindingDB50048746
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
18216Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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