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Ligand

NameCHEMBL394607
Molecular formulaC36H45N5O5S
IUPAC nameN-[1-[[(2R)-1-[[3-[4-(oxan-4-yl)piperazin-1-yl]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight659.846
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.9
SynonymsN/A
Inchi KeyASOICHOYACLMGC-GDLZYMKVSA-N
Inchi IDInChI=1S/C36H45N5O5S/c42-32(41-20-18-40(19-21-41)28-13-22-46-23-14-28)12-17-37-33(43)29(24-26-8-2-1-3-9-26)38-35(45)36(15-6-7-16-36)39-34(44)31-25-27-10-4-5-11-30(27)47-31/h1-5,8-11,25,28-29H,6-7,12-24H2,(H,37,43)(H,38,45)(H,39,44)/t29-/m1/s1
PubChem CID23626569
ChEMBLCHEMBL394607
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13363Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
13364Substance-K receptorP21452TACR2Homo sapiens (Human)398

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