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Ligand

NameCHEMBL437060
Molecular formulaC48H58N6O6
IUPAC nameN-benzyl-2-[[2-[[2-(3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl)acetyl]amino]-3-(1-octanoylindol-3-yl)propanoyl]amino]-N-methyl-3-phenylpropanamide
Molecular weight815.028
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP6.8
SynonymsBDBM50406792
Inchi KeyLMKXUGXJFNHYIM-UHFFFAOYSA-N
Inchi IDInChI=1S/C48H58N6O6/c1-3-4-5-6-13-22-43(56)53-31-35(37-20-14-15-21-41(37)53)28-38(49-42(55)29-40-48(60)54-36-25-23-34(24-26-36)44(54)46(58)51-40)45(57)50-39(27-32-16-9-7-10-17-32)47(59)52(2)30-33-18-11-8-12-19-33/h7-12,14-21,31,34,36,38-40,44H,3-6,13,22-30H2,1-2H3,(H,49,55)(H,50,57)(H,51,58)
PubChem CID23277785
ChEMBLN/A
IUPHARN/A
BindingDB50406792
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
191043Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
520465Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
191042Substance-P receptorP25103TACR1Homo sapiens (Human)407

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