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Ligand

NameCHEMBL405264
Molecular formulaC82H100N12O13
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]-6-[(4-methylphenyl)methylamino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1461.77
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP8.2
SynonymsN/A
Inchi KeyMHDDJPLDGDSZOQ-AVXHYPCLSA-N
Inchi IDInChI=1S/C82H100N12O13/c1-51(2)42-70(82(107)94-41-19-29-72(94)81(106)85-53(4)73(83)98)92-78(103)67(45-56-22-11-7-12-23-56)88-74(99)64(28-17-18-40-84-49-59-32-30-52(3)31-33-59)87-76(101)69(47-58-35-38-63(97)39-36-58)91-80(105)71(50-95)93-79(104)68(46-57-24-13-8-14-25-57)90-77(102)66(44-55-20-9-6-10-21-55)89-75(100)65(86-54(5)96)48-60-34-37-61-26-15-16-27-62(61)43-60/h6-16,20-27,30-39,43,51,53,64-72,84,95,97H,17-19,28-29,40-42,44-50H2,1-5H3,(H2,83,98)(H,85,106)(H,86,96)(H,87,101)(H,88,99)(H,89,100)(H,90,102)(H,91,105)(H,92,103)(H,93,104)/t53-,64-,65-,66-,67-,68-,69-,70-,71-,72+/m0/s1
PubChem CID44376792
ChEMBLCHEMBL405264
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
205302Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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