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Ligand

NameCHEMBL1940360
Molecular formulaC30H38N4O2S
IUPAC name[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-(5-methylpyridin-2-yl)piperazin-1-yl]methanone
Molecular weight518.72
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50362444
Inchi KeyVMZAGDDMMQIQNB-KXQRYBCWSA-N
Inchi IDInChI=1S/C30H38N4O2S/c1-21-4-11-29(31-19-21)33-13-15-34(16-14-33)30(35)27-10-7-25(18-28(27)24-12-17-37-20-24)32-22(2)23-5-8-26(36-3)9-6-23/h4-6,8-9,11-12,17,19-20,22,25,27-28,32H,7,10,13-16,18H2,1-3H3/t22-,25-,27+,28-/m1/s1
PubChem CID57401700
ChEMBLCHEMBL1940360
IUPHARN/A
BindingDB50362444
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
359158Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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