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Ligand

NameCHEMBL46849
Molecular formulaC42H46N6O6
IUPAC name2-[[3-(1-acetylindol-3-yl)-2-[[2-(3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl)acetyl]amino]propanoyl]amino]-N-benzyl-N-methyl-3-phenylpropanamide
Molecular weight730.866
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.8
SynonymsBDBM50406790
Inchi KeyNAPRVHFRCLJTHE-UHFFFAOYSA-N
Inchi IDInChI=1S/C42H46N6O6/c1-26(49)47-25-30(32-15-9-10-16-36(32)47)22-33(43-37(50)23-35-42(54)48-31-19-17-29(18-20-31)38(48)40(52)45-35)39(51)44-34(21-27-11-5-3-6-12-27)41(53)46(2)24-28-13-7-4-8-14-28/h3-16,25,29,31,33-35,38H,17-24H2,1-2H3,(H,43,50)(H,44,51)(H,45,52)
PubChem CID23277717
ChEMBLN/A
IUPHARN/A
BindingDB50406790
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
218656Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
520573Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
218657Substance-P receptorP25103TACR1Homo sapiens (Human)407

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