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Ligand

NameCHEMBL265231
Molecular formulaC81H98N12O14
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-hydroxyphenyl)methylamino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1463.74
Hydrogen bond acceptor15
Hydrogen bond donor14
XlogP7.4
SynonymsN/A
Inchi KeyNPCVHYJWTYZZOB-KEWLAEHKSA-N
Inchi IDInChI=1S/C81H98N12O14/c1-50(2)41-69(81(107)93-40-18-28-71(93)80(106)84-51(3)72(82)98)91-77(103)66(44-54-21-10-6-11-22-54)87-73(99)63(27-16-17-39-83-48-57-32-37-62(97)38-33-57)86-75(101)68(46-56-30-35-61(96)36-31-56)90-79(105)70(49-94)92-78(104)67(45-55-23-12-7-13-24-55)89-76(102)65(43-53-19-8-5-9-20-53)88-74(100)64(85-52(4)95)47-58-29-34-59-25-14-15-26-60(59)42-58/h5-15,19-26,29-38,42,50-51,63-71,83,94,96-97H,16-18,27-28,39-41,43-49H2,1-4H3,(H2,82,98)(H,84,106)(H,85,95)(H,86,101)(H,87,99)(H,88,100)(H,89,102)(H,90,105)(H,91,103)(H,92,104)/t51-,63-,64-,65-,66-,67-,68-,69-,70-,71+/m0/s1
PubChem CID44377029
ChEMBLCHEMBL265231
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
228806Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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