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Ligand

NameCHEMBL380273
Molecular formulaC33H44Cl2N6O5S
IUPAC nameN-[1-[4-[(2S)-2-amino-5-(dimethylamino)pentanoyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]-2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonamide
Molecular weight707.712
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50410917
MEN-15442
SCHEMBL4069480
Inchi KeyFWEDCBJKAGZGPE-SANMLTNESA-N
Inchi IDInChI=1S/C33H44Cl2N6O5S/c1-21-19-22(2)37-30-23(21)9-7-11-27(30)46-20-24-25(34)12-13-28(29(24)35)47(44,45)38-33(3,4)32(43)41-17-15-40(16-18-41)31(42)26(36)10-8-14-39(5)6/h7,9,11-13,19,26,38H,8,10,14-18,20,36H2,1-6H3/t26-/m0/s1
PubChem CID10101294
ChEMBLCHEMBL380273
IUPHARN/A
BindingDB50410917
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
88812B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
88813B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
88814B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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