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Ligand

NameMLS000392397
Molecular formulaC20H20BrN3O3S
IUPAC nameN-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide
Molecular weight462.362
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
SynonymsMLS002636919
ZINC25228033
AKOS034463980
CHEMBL1506728
N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide
[ Show all ]
Inchi KeyHCQWEAKUEYTKEF-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20BrN3O3S/c21-16-3-1-2-15(11-16)19(25)22-20(28)24-8-6-23(7-9-24)12-14-4-5-17-18(10-14)27-13-26-17/h1-5,10-11H,6-9,12-13H2,(H,22,25,28)
PubChem CID2394933
ChEMBLCHEMBL1506728
IUPHARN/A
BindingDB54271
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
111536C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
111535Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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