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Ligand

NameCHEMBL375576
Molecular formulaC34H44Cl2N6O5S
IUPAC name2,4-dichloro-N-[1-[4-[(3S)-3,6-diaminohexanoyl]piperazine-1-carbonyl]cyclopentyl]-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonamide
Molecular weight719.723
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.3
SynonymsBDBM50411265
SCHEMBL4384929
Inchi KeyCSMQUTKOEXQGEE-DEOSSOPVSA-N
Inchi IDInChI=1S/C34H44Cl2N6O5S/c1-22-19-23(2)39-32-25(22)8-5-9-28(32)47-21-26-27(35)10-11-29(31(26)36)48(45,46)40-34(12-3-4-13-34)33(44)42-17-15-41(16-18-42)30(43)20-24(38)7-6-14-37/h5,8-11,19,24,40H,3-4,6-7,12-18,20-21,37-38H2,1-2H3/t24-/m0/s1
PubChem CID10079797
ChEMBLCHEMBL375576
IUPHARN/A
BindingDB50411265
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
49575B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
49574B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
49576B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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