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Ligand

NameCHEMBL398028
Molecular formulaC35H38N4O4S
IUPAC nameN-[2-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]-1-benzothiophene-2-carboxamide
Molecular weight610.773
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.1
SynonymsBDBM50002957
Inchi KeyHBFPLRNQVZTHGZ-GDLZYMKVSA-N
Inchi IDInChI=1S/C35H38N4O4S/c40-32(36-15-8-16-39-17-19-43-20-18-39)29(21-25-9-2-1-3-10-25)37-34(42)35(23-27-12-4-5-13-28(27)24-35)38-33(41)31-22-26-11-6-7-14-30(26)44-31/h1-7,9-14,22,29H,8,15-21,23-24H2,(H,36,40)(H,37,42)(H,38,41)/t29-/m1/s1
PubChem CID44434204
ChEMBLCHEMBL398028
IUPHARN/A
BindingDB50002957
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
110443Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
110444Substance-K receptorP21452TACR2Homo sapiens (Human)398

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