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Ligand

NameCHEMBL2440901
Molecular formulaC40H52F3N11O8
IUPAC nameN-(2-aminoethyl)-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 weight871.92
Hydrogen bond acceptor13
Hydrogen bond donor11
XlogPNone
SynonymsN/A
Inchi KeyMSFCSRGFBOQVFY-CZCBIWLKSA-N
Inchi IDInChI=1S/C38H51N11O6.C2HF3O2/c39-19-21-42-31(50)17-18-32(51)43-22-23-45-38(55)49-36(40)44-20-7-12-30(34(52)46-24-26-13-15-27(16-14-26)25-47-37(41)54)48-35(53)33(28-8-3-1-4-9-28)29-10-5-2-6-11-29;3-2(4,5)1(6)7/h1-6,8-11,13-16,30,33H,7,12,17-25,39H2,(H,42,50)(H,43,51)(H,46,52)(H,48,53)(H3,41,47,54)(H4,40,44,45,49,55);(H,6,7)/t30-;/m0./s1
PubChem CID73355612
ChEMBLCHEMBL2440901
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
212979Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
212981Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
212980Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375

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