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Ligand

NameCHEMBL2440904
Molecular formulaC44H61N13O8
IUPAC nameN-(2-aminoethyl)-N'-[2-[[4-[2-[[N'-[(4R)-5-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-4-[(2,2-diphenylacetyl)amino]-5-oxopentyl]carbamimidoyl]carbamoylamino]ethylamino]-4-oxobutanoyl]amino]ethyl]butanediamide
Molecular weight900.055
Hydrogen bond acceptor10
Hydrogen bond donor12
XlogP-2.0
SynonymsCHEMBL3040737
BDBM50442569
Inchi KeyKTYNJUNXEIQNGS-UUWRZZSWSA-N
Inchi IDInChI=1S/C44H61N13O8/c45-21-23-48-35(58)17-18-36(59)49-24-25-50-37(60)19-20-38(61)51-26-27-53-44(65)57-42(46)52-22-7-12-34(40(62)54-28-30-13-15-31(16-14-30)29-55-43(47)64)56-41(63)39(32-8-3-1-4-9-32)33-10-5-2-6-11-33/h1-6,8-11,13-16,34,39H,7,12,17-29,45H2,(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,54,62)(H,56,63)(H3,47,55,64)(H4,46,52,53,57,65)/t34-/m1/s1
PubChem CID73351127
ChEMBLN/A
IUPHARN/A
BindingDB50442569
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
178164Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
178165Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375

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