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Ligand

NameCHEMBL3914281
Molecular formulaC23H29FN6O6S
IUPAC nametert-butyl (1R,5R)-3-[[6-(2-fluoro-4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
Molecular weight536.579
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50204226
Inchi KeyAJTCMLMKPYAVBB-HUUCEWRRSA-N
Inchi IDInChI=1S/C23H29FN6O6S/c1-23(2,3)36-22(31)29-14-5-6-15(29)10-13(9-14)27-20-19(30(32)33)21(26-12-25-20)28-18-8-7-16(11-17(18)24)37(4,34)35/h7-8,11-15H,5-6,9-10H2,1-4H3,(H2,25,26,27,28)/t14-,15-/m1/s1
PubChem CID134142930
ChEMBLCHEMBL3914281
IUPHARN/A
BindingDB50204226
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
547975Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335

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