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Ligand

NameCHEMBL1956722
Molecular formulaC36H48Cl2N5O6S+
IUPAC name[5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxane-4-carbonyl]piperazin-1-yl]-5-oxopentyl]-trimethylazanium
Molecular weight749.769
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.3
SynonymsSCHEMBL5184373
CHEMBL1963183
BDBM50419902
Inchi KeyBISYOBNUAXREHS-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H48Cl2N5O6S/c1-25-23-26(2)39-34-27(25)9-8-10-30(34)49-24-28-29(37)12-13-31(33(28)38)50(46,47)40-36(14-21-48-22-15-36)35(45)42-18-16-41(17-19-42)32(44)11-6-7-20-43(3,4)5/h8-10,12-13,23,40H,6-7,11,14-22,24H2,1-5H3/q+1
PubChem CID57345657
ChEMBLN/A
IUPHARN/A
BindingDB50419902
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24698B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
24699B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
24700B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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