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Ligand

NameCHEMBL364933
Molecular formulaC26H28N6O4S
IUPAC name1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]urea
Molecular weight520.608
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50165563
1-tert-Butyl-3-[2-(2-methoxy-5-nitro-benzylsulfanyl)-1-pyridin-3-ylmethyl-1H-benzoimidazol-5-yl]-urea
Inchi KeyASWLHVCNQDHIJK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28N6O4S/c1-26(2,3)30-24(33)28-19-7-9-22-21(13-19)29-25(31(22)15-17-6-5-11-27-14-17)37-16-18-12-20(32(34)35)8-10-23(18)36-4/h5-14H,15-16H2,1-4H3,(H2,28,30,33)
PubChem CID44402492
ChEMBLCHEMBL364933
IUPHARN/A
BindingDB50165563
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
13587Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327
13588Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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