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Ligand

NameCHEMBL452238
Molecular formulaC33H42ClN3O5S
IUPAC nameN-[(2-chlorophenyl)methyl]-2-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl-[4-(piperidin-1-ylmethyl)phenyl]sulfonylamino]acetamide
Molecular weight628.225
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50254458
N-(2-chlorobenzyl)-2-(N-(4-isobutoxy-3-methoxybenzyl)-4-(piperidin-1-ylmethyl)phenylsulfonamido)acetamide
Inchi KeyAGKIJDSUCAPQKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H42ClN3O5S/c1-25(2)24-42-31-16-13-27(19-32(31)41-3)22-37(23-33(38)35-20-28-9-5-6-10-30(28)34)43(39,40)29-14-11-26(12-15-29)21-36-17-7-4-8-18-36/h5-6,9-16,19,25H,4,7-8,17-18,20-24H2,1-3H3,(H,35,38)
PubChem CID44569936
ChEMBLCHEMBL452238
IUPHARN/A
BindingDB50254458
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4950B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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