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Ligand

NameCHEMBL1651828
Molecular formulaC29H38N12O4S2
IUPAC name5-amino-4-[3-[[2-[[1-[2-[2-(2-azidoethoxy)ethoxy]ethyl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
Molecular weight682.823
Hydrogen bond acceptor14
Hydrogen bond donor4
XlogP3.7
SynonymsBDBM50335473
5-amino-4-(3-(2-((1-(2-(2-(2-azidoethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methylamino)-2-oxoethylamino)phenyl)-N-tert-butyl-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide
Inchi KeyDDRLORATFRULNL-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H38N12O4S2/c1-29(2,3)37-26(43)25-23(30)22-24(35-28(46-4)36-27(22)47-25)18-6-5-7-19(14-18)32-16-21(42)33-15-20-17-41(40-38-20)9-11-45-13-12-44-10-8-34-39-31/h5-7,14,17,32H,8-13,15-16,30H2,1-4H3,(H,33,42)(H,37,43)
PubChem CID44255904
ChEMBLCHEMBL1651828
IUPHARN/A
BindingDB50335473
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
57384Follicle-stimulating hormone receptorP23945FSHRHomo sapiens (Human)695
57385Lutropin-choriogonadotropic hormone receptorP22888LHCGRHomo sapiens (Human)699

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