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Ligand

NameSCHEMBL10316476
Molecular formulaC44H58N8O5
IUPAC name(2R)-N-[(2R)-6-amino-1-oxo-1-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]hexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
Molecular weight778.999
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP4.0
SynonymsUS9359399, 30
BDBM235790
Inchi KeyACABXTMKTMNTRN-SIMZDOAPSA-N
Inchi IDInChI=1S/C44H58N8O5/c1-30(2)26-37(49-42(55)38(28-32-16-8-4-9-17-32)48-40(53)35(46)27-31-14-6-3-7-15-31)41(54)47-36(20-12-13-23-45)43(56)51-24-21-34(22-25-51)52-29-39(50-44(52)57)33-18-10-5-11-19-33/h3-11,14-19,29-30,34-38H,12-13,20-28,45-46H2,1-2H3,(H,47,54)(H,48,53)(H,49,55)(H,50,57)/t35-,36-,37-,38-/m1/s1
PubChem CID53379631
ChEMBLN/A
IUPHARN/A
BindingDB235790
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
557340Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
557341Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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