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Ligand

NameBDBM50045221
Molecular formulaC38H69N4OP+2
IUPAC namecyclohexyl-[(cyclohexylamino)-[[(2S)-4-methyl-1-oxo-1-[4-(tributylphosphaniumylmethyl)anilino]pentan-2-yl]amino]methylidene]azanium
Molecular weight628.971
Hydrogen bond acceptor1
Hydrogen bond donor4
XlogP9.0
Synonymstributyl{4-[({[(E)-(cyclohexylamino)(cyclohexyliminio)methyl]amino}acetyl)amino]benzyl}phosphonium; Chloride; hydrochloride
Inchi KeyACSOUKQYPFMWHH-BHVANESWSA-P
Inchi IDInChI=1S/C38H67N4OP/c1-6-9-26-44(27-10-7-2,28-11-8-3)30-32-22-24-35(25-23-32)39-37(43)36(29-31(4)5)42-38(40-33-18-14-12-15-19-33)41-34-20-16-13-17-21-34/h22-25,31,33-34,36H,6-21,26-30H2,1-5H3,(H2-,39,40,41,42,43)/p+2/t36-/m0/s1
PubChem CID91929319
ChEMBLN/A
IUPHARN/A
BindingDB50045221
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
1884B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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