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Ligand

NameCHEMBL218636
Molecular formulaC38H52Cl2N7O6S+
IUPAC name[(4S)-5-[4-[1-acetyl-4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]piperidine-4-carbonyl]piperazin-1-yl]-4-amino-5-oxopentyl]-trimethylazanium
Molecular weight805.837
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50411254
Inchi KeyCVEVWPJOKBLXPW-HKBQPEDESA-N
Inchi IDInChI=1S/C38H52Cl2N7O6S/c1-25-23-26(2)42-35-28(25)9-7-11-32(35)53-24-29-30(39)12-13-33(34(29)40)54(51,52)43-38(14-16-44(17-15-38)27(3)48)37(50)46-20-18-45(19-21-46)36(49)31(41)10-8-22-47(4,5)6/h7,9,11-13,23,31,43H,8,10,14-22,24,41H2,1-6H3/q+1/t31-/m0/s1
PubChem CID16105751
ChEMBLCHEMBL218636
IUPHARN/A
BindingDB50411254
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51405B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
51404B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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