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Ligand

NameCHEMBL183888
Molecular formulaC18H29N3O
IUPAC name(1R,2R)-1-amino-1-(6-octyl-1H-benzimidazol-2-yl)propan-2-ol
Molecular weight303.45
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP4.2
SynonymsCHEMBL1181600
BDBM50152542
(1R,2R)-1-Amino-1-(6-octyl-1H-benzoimidazol-2-yl)-propan-2-ol; TFA
Inchi KeyBSKDWFVVKSTHAZ-DYVFJYSZSA-N
Inchi IDInChI=1S/C18H29N3O/c1-3-4-5-6-7-8-9-14-10-11-15-16(12-14)21-18(20-15)17(19)13(2)22/h10-13,17,22H,3-9,19H2,1-2H3,(H,20,21)/t13-,17+/m1/s1
PubChem CID44394539
ChEMBLN/A
IUPHARN/A
BindingDB50152542
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31747Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
31748Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384

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