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Ligand

NameCHEMBL1940532
Molecular formulaC29H34ClN5O3S
IUPAC name[4-(5-chloropyridin-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[2-(4-nitrophenyl)propan-2-ylamino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight568.133
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50362424
Inchi KeyIKVCHAXHNNREHP-DMTNHVFBSA-N
Inchi IDInChI=1S/C29H34ClN5O3S/c1-29(2,21-3-7-24(8-4-21)35(37)38)32-23-6-9-25(26(17-23)20-11-16-39-19-20)28(36)34-14-12-33(13-15-34)27-10-5-22(30)18-31-27/h3-5,7-8,10-11,16,18-19,23,25-26,32H,6,9,12-15,17H2,1-2H3/t23-,25+,26-/m1/s1
PubChem CID57401831
ChEMBLCHEMBL1940532
IUPHARN/A
BindingDB50362424
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
135697Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329

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