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Ligand

NameCHEMBL175651
Molecular formulaC31H34N6O3
IUPAC name(2R)-3-(1H-indol-3-yl)-N-(2-phenylethyl)-2-[[[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]amino]carbamoylamino]propanamide
Molecular weight538.652
Hydrogen bond acceptor4
Hydrogen bond donor6
XlogP3.4
SynonymsBDBM50127540
Inchi KeyGMQWNNZLXYAXAF-PLYLYKGUSA-N
Inchi IDInChI=1S/C31H34N6O3/c38-29(19-27-24-11-5-4-10-22(24)15-17-32-27)36-37-31(40)35-28(18-23-20-34-26-13-7-6-12-25(23)26)30(39)33-16-14-21-8-2-1-3-9-21/h1-13,20,27-28,32,34H,14-19H2,(H,33,39)(H,36,38)(H2,35,37,40)/t27?,28-/m1/s1
PubChem CID44387452
ChEMBLCHEMBL175651
IUPHARN/A
BindingDB50127540
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
100128Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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