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Ligand

NameCHEMBL217123
Molecular formulaC79H90N12O13
IUPAC name(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1415.66
Hydrogen bond acceptor13
Hydrogen bond donor13
XlogP7.7
SynonymsN/A
Inchi KeyFEBYMDPUJOWHRT-AYBSQLMQSA-N
Inchi IDInChI=1S/C79H90N12O13/c1-47(2)37-67(79(104)91-36-18-29-69(91)78(103)82-48(3)70(80)95)89-74(99)63(40-51-21-10-6-11-22-51)86-76(101)66(44-57-45-81-60-28-17-16-27-59(57)60)88-73(98)65(42-53-31-34-58(94)35-32-53)87-77(102)68(46-92)90-75(100)64(41-52-23-12-7-13-24-52)85-72(97)62(39-50-19-8-5-9-20-50)84-71(96)61(83-49(4)93)43-54-30-33-55-25-14-15-26-56(55)38-54/h5-17,19-28,30-35,38,45,47-48,61-69,81,92,94H,18,29,36-37,39-44,46H2,1-4H3,(H2,80,95)(H,82,103)(H,83,93)(H,84,96)(H,85,97)(H,86,101)(H,87,102)(H,88,98)(H,89,99)(H,90,100)/t48-,61-,62-,63-,64-,65-,66-,67-,68-,69+/m0/s1
PubChem CID44376738
ChEMBLCHEMBL217123
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
76100Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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