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Ligand

NameCHEMBL386794
Molecular formulaC36H48Cl2N5O5S+
IUPAC name[5-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-5-oxopentyl]-trimethylazanium
Molecular weight733.77
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50411253
Inchi KeyAVCCDSXROVKBCO-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H48Cl2N5O5S/c1-25-23-26(2)39-34-27(25)11-10-12-30(34)48-24-28-29(37)14-15-31(33(28)38)49(46,47)40-36(16-7-8-17-36)35(45)42-20-18-41(19-21-42)32(44)13-6-9-22-43(3,4)5/h10-12,14-15,23,40H,6-9,13,16-22,24H2,1-5H3/q+1
PubChem CID16105694
ChEMBLCHEMBL386794
IUPHARN/A
BindingDB50411253
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15171B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
15172B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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