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Ligand

NameCHEMBL414329
Molecular formulaC81H98N12O13
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-(benzylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1447.75
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP7.8
SynonymsN/A
Inchi KeyGKHDLBQUWMZRFX-OQTVMXKLSA-N
Inchi IDInChI=1S/C81H98N12O13/c1-51(2)42-69(81(106)93-41-21-33-71(93)80(105)84-52(3)72(82)97)91-77(102)66(45-55-24-11-6-12-25-55)87-73(98)63(32-19-20-40-83-49-58-28-15-8-16-29-58)86-75(100)68(47-57-35-38-62(96)39-36-57)90-79(104)70(50-94)92-78(103)67(46-56-26-13-7-14-27-56)89-76(101)65(44-54-22-9-5-10-23-54)88-74(99)64(85-53(4)95)48-59-34-37-60-30-17-18-31-61(60)43-59/h5-18,22-31,34-39,43,51-52,63-71,83,94,96H,19-21,32-33,40-42,44-50H2,1-4H3,(H2,82,97)(H,84,105)(H,85,95)(H,86,100)(H,87,98)(H,88,99)(H,89,101)(H,90,104)(H,91,102)(H,92,103)/t52-,63-,64-,65-,66-,67-,68-,69-,70-,71+/m0/s1
PubChem CID44376793
ChEMBLCHEMBL414329
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
98619Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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