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Ligand

NameCHEMBL2440897
Molecular formulaC47H66F3N11O11
IUPAC nameN'-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]-N-[2-[[N'-[(4S)-5-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-4-[(2,2-diphenylacetyl)amino]-5-oxopentyl]carbamimidoyl]carbamoylamino]ethyl]butanediamide;2,2,2-trifluoroacetic acid
Molecular weight1018.11
Hydrogen bond acceptor16
Hydrogen bond donor11
XlogPNone
SynonymsN/A
Inchi KeyDOLVYXIAWXUFAZ-JFRIYMKVSA-N
Inchi IDInChI=1S/C45H65N11O9.C2HF3O2/c46-20-8-25-63-27-29-65-30-28-64-26-24-50-39(58)19-18-38(57)49-22-23-52-45(62)56-43(47)51-21-7-13-37(41(59)53-31-33-14-16-34(17-15-33)32-54-44(48)61)55-42(60)40(35-9-3-1-4-10-35)36-11-5-2-6-12-36;3-2(4,5)1(6)7/h1-6,9-12,14-17,37,40H,7-8,13,18-32,46H2,(H,49,57)(H,50,58)(H,53,59)(H,55,60)(H3,48,54,61)(H4,47,51,52,56,62);(H,6,7)/t37-;/m0./s1
PubChem CID73354087
ChEMBLCHEMBL2440897
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
65088Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
65086Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
65087Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
65085Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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