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Ligand

NameCHEMBL353148
Molecular formulaC37H41N5O4
IUPAC name(2S)-N-[(2S)-1-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
Molecular weight619.766
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP5.5
SynonymsBDBM50284161
(E)-N-[(S)-1-[(S)-1-((S)-3-Benzyl-5-oxo-piperazine-1-carbonyl)-3-methyl-butylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-3-phenyl-acrylamide
Inchi KeyZVRFDDIXIMHJLH-DJHGZAOCSA-N
Inchi IDInChI=1S/C37H41N5O4/c1-25(2)19-33(37(46)42-23-29(39-35(44)24-42)20-27-13-7-4-8-14-27)41-36(45)32(21-28-22-38-31-16-10-9-15-30(28)31)40-34(43)18-17-26-11-5-3-6-12-26/h3-18,22,25,29,32-33,38H,19-21,23-24H2,1-2H3,(H,39,44)(H,40,43)(H,41,45)/b18-17+/t29-,32-,33-/m0/s1
PubChem CID44382624
ChEMBLCHEMBL353148
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
438610Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
438611Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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