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Ligand

NameCHEMBL221683
Molecular formulaC35H46Cl2N5O5S+
IUPAC name[4-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-4-oxobutyl]-trimethylazanium
Molecular weight719.743
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.8
SynonymsSCHEMBL4245692
BDBM50411269
Inchi KeyFITBAVZSOSBRLL-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H46Cl2N5O5S/c1-24-22-25(2)38-33-26(24)10-8-11-29(33)47-23-27-28(36)13-14-30(32(27)37)48(45,46)39-35(15-6-7-16-35)34(44)41-19-17-40(18-20-41)31(43)12-9-21-42(3,4)5/h8,10-11,13-14,22,39H,6-7,9,12,15-21,23H2,1-5H3/q+1
PubChem CID10396101
ChEMBLCHEMBL221683
IUPHARN/A
BindingDB50411269
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
79376B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
79374B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
79375B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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