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Ligand

NameSCHEMBL10316443
Molecular formulaC42H56N8O5
IUPAC name(2R)-N-[(2R)-6-amino-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]hexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
Molecular weight752.961
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP3.8
SynonymsBDBM235792
US9359399, 36
Inchi KeyBPXPUEDLWGZNNF-DCZZOZOESA-N
Inchi IDInChI=1S/C42H56N8O5/c1-28(2)25-35(47-40(53)36(27-30-15-7-4-8-16-30)46-38(51)32(44)26-29-13-5-3-6-14-29)39(52)45-34(18-11-12-22-43)41(54)49-23-20-31(21-24-49)50-37-19-10-9-17-33(37)48-42(50)55/h3-10,13-17,19,28,31-32,34-36H,11-12,18,20-27,43-44H2,1-2H3,(H,45,52)(H,46,51)(H,47,53)(H,48,55)/t32-,34-,35-,36-/m1/s1
PubChem CID59751675
ChEMBLN/A
IUPHARN/A
BindingDB235792
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
558190Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
558191Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380

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