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Ligand

NameCHEMBL1940536
Molecular formulaC32H38N4O3S
IUPAC name[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[2-(4-methoxyphenyl)propan-2-ylamino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight558.741
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50362415
Inchi KeyXBUVDZQWJBXQFR-FXVJXKIMSA-N
Inchi IDInChI=1S/C32H38N4O3S/c1-32(2,23-8-11-25(38-3)12-9-23)34-24-10-13-26(27(20-24)22-14-19-40-21-22)30(37)35-15-17-36(18-16-35)31-33-28-6-4-5-7-29(28)39-31/h4-9,11-12,14,19,21,24,26-27,34H,10,13,15-18,20H2,1-3H3/t24-,26+,27-/m1/s1
PubChem CID57400020
ChEMBLCHEMBL1940536
IUPHARN/A
BindingDB50362415
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
387930Neuropeptides B/W receptor type 1P49681Npbwr1Mus musculus (Mouse)329
387931Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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