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Ligand

NameCHEMBL508974
Molecular formulaC32H38N6O6
IUPAC nameethyl 2-[[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]carbamoylamino]acetate
Molecular weight602.692
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP3.4
SynonymsBDBM50246649
(R)-ethyl 2-(3-((5-(4-hydroxybenzylamino)-4-(2,2-diphenylacetamido)-5-oxopentylamino)(amino)methylene)ureido)acetate
Inchi KeyDLLWIQHESQBDLY-AREMUKBSSA-N
Inchi IDInChI=1S/C32H38N6O6/c1-2-44-27(40)21-36-32(43)38-31(33)34-19-9-14-26(29(41)35-20-22-15-17-25(39)18-16-22)37-30(42)28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-18,26,28,39H,2,9,14,19-21H2,1H3,(H,35,41)(H,37,42)(H4,33,34,36,38,43)/t26-/m1/s1
PubChem CID10008757
ChEMBLCHEMBL508974
IUPHARN/A
BindingDB50246649
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523375Neuropeptide FF receptor 1Q9GZQ6NPFFR1Homo sapiens (Human)430
523376Neuropeptide FF receptor 2Q9Y5X5NPFFR2Homo sapiens (Human)522
63086Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
523372Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
523373Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
523374Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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