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Ligand

NameMLS000849526
Molecular formulaC30H51N5O8
IUPAC nametert-butyl (2S)-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Molecular weight609.765
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP4.6
SynonymsCHEMBL1496143
SMR000463883
HMS2194A14
Inchi KeyAGHVQWLBIQDRAA-PMACEKPBSA-N
Inchi IDInChI=1S/C30H51N5O8/c1-18(2)16-20(26(39)42-29(6,7)8)35-24(37)22-21(32-17-33-22)23(36)34-19(25(38)41-28(3,4)5)14-12-13-15-31-27(40)43-30(9,10)11/h17-20H,12-16H2,1-11H3,(H,31,40)(H,32,33)(H,34,36)(H,35,37)/t19-,20-/m0/s1
PubChem CID16746573
ChEMBLCHEMBL1496143
IUPHARN/A
BindingDBN/A
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
4886Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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