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Ligand

NameCHEMBL3965479
Molecular formulaC27H32N8O2
IUPAC name4-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazine-2-carbonyl]piperazin-2-one
Molecular weight500.607
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.1
SynonymsSCHEMBL13491104
Inchi KeyBAFPWLDFTJYFFW-GOSISDBHSA-N
Inchi IDInChI=1S/C27H32N8O2/c1-18-16-33(26-20(3)19(2)22(31-32-26)13-21-7-5-4-6-8-21)11-12-35(18)24-15-29-23(14-30-24)27(37)34-10-9-28-25(36)17-34/h4-8,14-15,18H,9-13,16-17H2,1-3H3,(H,28,36)/t18-/m1/s1
PubChem CID59191489
ChEMBLCHEMBL3965479
IUPHARN/A
BindingDBN/A
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
536460Smoothened homologQ99835SMOHomo sapiens (Human)787
536461Smoothened homologP56726SmoMus musculus (Mouse)793

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