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Ligand

NameCHEMBL266870
Molecular formulaC61H85N15O11
IUPAC nameN-[(5S)-5-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-(pyridine-2-carbonylamino)hexanoyl]amino]-6-[[(2S)-1-[[5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide
Molecular weight1204.44
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP2.2
SynonymsN/A
Inchi KeyAAQOCYXCZGYIMJ-KNINLBGNSA-N
Inchi IDInChI=1S/C61H85N15O11/c1-5-64-59(86)51-25-17-33-76(51)60(87)47(24-16-32-69-61(62)63)73-56(83)48(34-38(2)3)74-55(82)46(23-11-15-31-68-53(80)44-21-9-13-29-66-44)71-54(81)45(22-10-14-30-67-52(79)43-20-8-12-28-65-43)72-58(85)50(37-77)75-57(84)49(70-39(4)78)36-40-26-27-41-18-6-7-19-42(41)35-40/h6-9,12-13,18-21,26-29,35,38,45-51,77H,5,10-11,14-17,22-25,30-34,36-37H2,1-4H3,(H,64,86)(H,67,79)(H,68,80)(H,70,78)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,75,84)(H4,62,63,69)/t45?,46-,47?,48-,49-,50-,51-/m0/s1
PubChem CID44330277
ChEMBLCHEMBL266870
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.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
445Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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