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Ligand

NameCHEMBL57167
Molecular formulaC33H37N5O3
IUPAC name3-(1H-indol-3-yl)-N-(2-phenylethyl)-2-[2-[[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]amino]propanoylamino]propanamide
Molecular weight551.691
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP3.8
Synonyms3-(1H-Indol-3-yl)-N-phenethyl-2-[2-(2-1,2,3,4-tetrahydro-isoquinolin-1-yl-acetylamino)-propionylamino]-propionamide
BDBM50127528
Inchi KeyCFKSTPUYLNWQPP-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H37N5O3/c1-22(37-31(39)20-29-26-12-6-5-11-24(26)16-18-34-29)32(40)38-30(19-25-21-36-28-14-8-7-13-27(25)28)33(41)35-17-15-23-9-3-2-4-10-23/h2-14,21-22,29-30,34,36H,15-20H2,1H3,(H,35,41)(H,37,39)(H,38,40)
PubChem CID44300453
ChEMBLN/A
IUPHARN/A
BindingDB50127528
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
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GLASS IDNameUniProtGeneSpeciesLength
40718Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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