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Ligand

NameCHEMBL1940542
Molecular formulaC28H34BrN5O2S2
IUPAC name[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight616.637
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50362410
Inchi KeyLLRJQSKRPBWVEO-YFNKSVMNSA-N
Inchi IDInChI=1S/C28H34BrN5O2S2/c1-36-22-6-3-20(4-7-22)28(10-2-11-28)30-21-5-8-23(24(17-21)19-9-16-37-18-19)25(35)33-12-14-34(15-13-33)27-32-31-26(29)38-27/h3-4,6-7,9,16,18,21,23-24,30H,2,5,8,10-15,17H2,1H3/t21-,23+,24-/m1/s1
PubChem CID57403535
ChEMBLCHEMBL1940542
IUPHARN/A
BindingDB50362410
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
190544Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329
190545Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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