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Ligand

NameCHEMBL2440903
Molecular formulaC41H56N12O7
IUPAC nameN-[2-(3-aminopropanoylamino)ethyl]-N'-[2-[[N'-[(4S)-5-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-4-[(2,2-diphenylacetyl)amino]-5-oxopentyl]carbamimidoyl]carbamoylamino]ethyl]butanediamide
Molecular weight828.976
Hydrogen bond acceptor9
Hydrogen bond donor11
XlogP-1.2
SynonymsCHEMBL3040703
BDBM50442567
Inchi KeyATEJRZJDBYFLLU-YTTGMZPUSA-N
Inchi IDInChI=1S/C41H56N12O7/c42-20-19-35(56)47-23-22-45-33(54)17-18-34(55)46-24-25-49-41(60)53-39(43)48-21-7-12-32(37(57)50-26-28-13-15-29(16-14-28)27-51-40(44)59)52-38(58)36(30-8-3-1-4-9-30)31-10-5-2-6-11-31/h1-6,8-11,13-16,32,36H,7,12,17-27,42H2,(H,45,54)(H,46,55)(H,47,56)(H,50,57)(H,52,58)(H3,44,51,59)(H4,43,48,49,53,60)/t32-/m0/s1
PubChem CID73354092
ChEMBLN/A
IUPHARN/A
BindingDB50442567
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13873Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
13870Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
13871Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
13872Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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