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Ligand

NameCHEMBL264298
Molecular formulaC61H75N11O9
IUPAC name1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylmethoxypropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight1106.34
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP5.6
SynonymsBDBM50405764
Inchi KeyZASQBLZNVJGQGV-RLPBTFTISA-N
Inchi IDInChI=1S/C61H75N11O9/c1-4-64-59(79)53-24-14-30-72(53)60(80)48(23-13-29-65-61(62)63)68-55(75)49(31-38(2)3)69-57(77)51(33-43-35-66-47-22-11-10-21-46(43)47)71-56(76)50(32-39-25-27-44(73)28-26-39)70-58(78)52(37-81-36-40-15-6-5-7-16-40)67-54(74)34-42-19-12-18-41-17-8-9-20-45(41)42/h5-12,15-22,25-28,35,38,48-53,66,73H,4,13-14,23-24,29-34,36-37H2,1-3H3,(H,64,79)(H,67,74)(H,68,75)(H,69,77)(H,70,78)(H,71,76)(H4,62,63,65)/t48-,49-,50-,51+,52-,53?/m0/s1
PubChem CID44314843
ChEMBLCHEMBL264298
IUPHARN/A
BindingDB50405764
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
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
423933Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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