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Ligand

NameCHEMBL3325651
Molecular formulaC32H38N6O3
IUPAC name1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methylindole-3-carboxamide
Molecular weight554.695
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50055601
Inchi KeyOPMWQKMHURGSRY-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H38N6O3/c1-4-7-30(39)27-18-34-38(22(27)3)24-12-10-23(11-13-24)35-32(41)28-19-36(29-14-9-21(2)16-26(28)29)20-31(40)37-15-6-5-8-25(37)17-33/h9-14,16,18-19,25H,4-8,15,17,20,33H2,1-3H3,(H,35,41)
PubChem CID118711089
ChEMBLCHEMBL3325651
IUPHARN/A
BindingDB50055601
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
451444P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
451445P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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