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Ligand

NameCHEMBL540897
Molecular formulaC38H68N4OP+
IUPAC nametributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-4-methylpentanoyl]amino]phenyl]methyl]phosphanium
Molecular weight627.963
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP9.0
Synonyms2-(N'',N''''-Dicyclohexyl-guanidino)-4-methyl-pentanoic acid [4-(tributyl-lambda*5*-phosphanylmethyl)-phenyl]-amide; chloride
BDBM50286356
CHEMBL1190475
CHEMBL1199685
Inchi KeyACSOUKQYPFMWHH-BHVANESWSA-O
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+1/t36-/m0/s1
PubChem CID44320312
ChEMBLN/A
IUPHARN/A
BindingDB50286356
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
1883B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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