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Ligand

NameCHEMBL386525
Molecular formulaC62H77N11O9
IUPAC name1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-(3-naphthalen-1-ylpropanoylamino)-3-phenylmethoxypropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight1120.37
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP5.9
SynonymsBDBM50405766
Inchi KeyDQRRYRQAOSFVHU-HRIYKSKUSA-N
Inchi IDInChI=1S/C62H77N11O9/c1-4-65-60(80)54-24-14-32-73(54)61(81)49(23-13-31-66-62(63)64)69-56(76)50(33-39(2)3)70-58(78)52(35-44-36-67-48-22-11-10-21-47(44)48)72-57(77)51(34-40-25-28-45(74)29-26-40)71-59(79)53(38-82-37-41-15-6-5-7-16-41)68-55(75)30-27-43-19-12-18-42-17-8-9-20-46(42)43/h5-12,15-22,25-26,28-29,36,39,49-54,67,74H,4,13-14,23-24,27,30-35,37-38H2,1-3H3,(H,65,80)(H,68,75)(H,69,76)(H,70,78)(H,71,79)(H,72,77)(H4,63,64,66)/t49-,50-,51-,52+,53-,54?/m0/s1
PubChem CID44314898
ChEMBLCHEMBL386525
IUPHARN/A
BindingDB50405766
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
66569Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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