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Ligand

NameCHEMBL1083877
Molecular formulaC34H44N8O2S
IUPAC name6-methyl-N-[1-[[(2S)-5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight628.84
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50415936
Inchi KeyJQCKRRPAKVTCCE-NDEPHWFRSA-N
Inchi IDInChI=1S/C34H44N8O2S/c1-25-12-13-27-23-30(45-29(27)21-25)32(43)36-34(14-6-7-15-34)33(44)35-28(22-26-9-4-3-5-10-26)11-8-16-41-17-19-42(20-18-41)24-31-37-39-40(2)38-31/h3-5,9-10,12-13,21,23,28H,6-8,11,14-20,22,24H2,1-2H3,(H,35,44)(H,36,43)/t28-/m0/s1
PubChem CID46236394
ChEMBLCHEMBL1083877
IUPHARN/A
BindingDB50415936
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
157107Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
157108Substance-K receptorP21452TACR2Homo sapiens (Human)398

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