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Ligand

NameCHEMBL268106
Molecular formulaC83H99N13O13
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-(1H-indol-3-ylmethylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1486.78
Hydrogen bond acceptor14
Hydrogen bond donor14
XlogP7.9
SynonymsN/A
Inchi KeySFPXAYCDKLEWFV-CQMSOAJUSA-N
Inchi IDInChI=1S/C83H99N13O13/c1-51(2)41-71(83(109)96-40-20-32-73(96)82(108)87-52(3)74(84)100)94-79(105)68(44-55-23-10-6-11-24-55)90-75(101)65(31-18-19-39-85-48-61-49-86-64-30-17-16-29-63(61)64)89-77(103)70(46-57-34-37-62(99)38-35-57)93-81(107)72(50-97)95-80(106)69(45-56-25-12-7-13-26-56)92-78(104)67(43-54-21-8-5-9-22-54)91-76(102)66(88-53(4)98)47-58-33-36-59-27-14-15-28-60(59)42-58/h5-17,21-30,33-38,42,49,51-52,65-73,85-86,97,99H,18-20,31-32,39-41,43-48,50H2,1-4H3,(H2,84,100)(H,87,108)(H,88,98)(H,89,103)(H,90,101)(H,91,102)(H,92,104)(H,93,107)(H,94,105)(H,95,106)/t52-,65-,66-,67-,68-,69-,70-,71-,72-,73+/m0/s1
PubChem CID44377030
ChEMBLCHEMBL268106
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
313119Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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