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Ligand

NameCHEMBL1822299
Molecular formulaC28H36N6O4
IUPAC nametert-butyl N-[1-[[[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]methyl]cyclopentyl]carbamate
Molecular weight520.634
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50352291
Inchi KeyBMGRENOKTUXRPE-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H36N6O4/c1-27(2,3)37-26(36)32-28(14-6-7-15-28)18-29-25(35)34-16-12-20(13-17-34)24-31-23(33-38-24)22-11-10-19-8-4-5-9-21(19)30-22/h4-5,8-11,20H,6-7,12-18H2,1-3H3,(H,29,35)(H,32,36)
PubChem CID56658170
ChEMBLCHEMBL1822299
IUPHARN/A
BindingDB50352291
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
27457Smoothened homologQ99835SMOHomo sapiens (Human)787

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