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Ligand

NameCHEMBL1940540
Molecular formulaC33H38N4O2S2
IUPAC name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight586.813
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.2
SynonymsBDBM50362420
Inchi KeyVSENKZAZCHPZLF-FPNNDXFKSA-N
Inchi IDInChI=1S/C33H38N4O2S2/c1-39-26-10-7-24(8-11-26)33(14-4-15-33)35-25-9-12-27(28(21-25)23-13-20-40-22-23)31(38)36-16-18-37(19-17-36)32-34-29-5-2-3-6-30(29)41-32/h2-3,5-8,10-11,13,20,22,25,27-28,35H,4,9,12,14-19,21H2,1H3/t25-,27+,28-/m1/s1
PubChem CID57396582
ChEMBLCHEMBL1940540
IUPHARN/A
BindingDB50362420
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
362947Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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