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Ligand

NameCHEMBL1940364
Molecular formulaC27H34N4O2S2
IUPAC name[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
Molecular weight510.715
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50362440
Inchi KeyJANHUOBCFXTIKL-FHTJMNSISA-N
Inchi IDInChI=1S/C27H34N4O2S2/c1-19(20-3-6-23(33-2)7-4-20)29-22-5-8-24(25(17-22)21-9-15-34-18-21)26(32)30-11-13-31(14-12-30)27-28-10-16-35-27/h3-4,6-7,9-10,15-16,18-19,22,24-25,29H,5,8,11-14,17H2,1-2H3/t19-,22-,24+,25-/m1/s1
PubChem CID57401815
ChEMBLCHEMBL1940364
IUPHARN/A
BindingDB50362440
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
146084Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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