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Ligand

NameCHEMBL236659
Molecular formulaC28H36N4O5S
IUPAC nameN-[1-[[(2S)-1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
Molecular weight540.679
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.6
SynonymsBDBM50003010
Inchi KeyBDKNKWVGMGUBOG-QFIPXVFZSA-N
Inchi IDInChI=1S/C28H36N4O5S/c1-28(2,32-26(34)24-19-21-10-6-7-11-23(21)38-24)27(35)31-22(18-20-8-4-3-5-9-20)25(33)30-13-15-37-17-16-36-14-12-29/h3-11,19,22H,12-18,29H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-/m0/s1
PubChem CID44434175
ChEMBLCHEMBL236659
IUPHARN/A
BindingDB50003010
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21021Substance-K receptorP21452TACR2Homo sapiens (Human)398

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