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Ligand

NameCHEMBL417947
Molecular formulaC32H35N5O4
IUPAC nameN-[3-(1H-indol-3-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-2-[(2-phenylacetyl)amino]pentanediamide
Molecular weight553.663
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP2.6
SynonymsBDBM50127522
2-Phenylacetylamino-pentanedioic acid 5-amide 1-{[2-(1H-indol-3-yl)-1-phenethylcarbamoyl-ethyl]-amide}
Inchi KeyBCRZWUKUZGBBLX-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H35N5O4/c33-29(38)16-15-27(36-30(39)19-23-11-5-2-6-12-23)32(41)37-28(20-24-21-35-26-14-8-7-13-25(24)26)31(40)34-18-17-22-9-3-1-4-10-22/h1-14,21,27-28,35H,15-20H2,(H2,33,38)(H,34,40)(H,36,39)(H,37,41)
PubChem CID44300748
ChEMBLN/A
IUPHARN/A
BindingDB50127522
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20466Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
20464Gastrin-releasing peptide receptorP30550GRPRHomo sapiens (Human)384
20465Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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