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Ligand

NameKo 1313
Molecular formulaC13H18N2O2
IUPAC name2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile
Molecular weight234.299
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.7
SynonymsAC1L1Z05
o-(2-Hydroxy-3-(isopropylamino)propoxy)benzonitrile
BENZONITRILE, o-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)-
CHEMBL1159888
38555-07-6
[ Show all ]
Inchi KeyYTTFGUYTPJYRBQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H18N2O2/c1-10(2)15-8-12(16)9-17-13-6-4-3-5-11(13)7-14/h3-6,10,12,15-16H,8-9H2,1-2H3
PubChem CID38065
ChEMBLCHEMBL1159888
IUPHARN/A
BindingDB50421730
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
419103Beta-2 adrenergic receptorQ28044ADRB2Bos taurus (Bovine)418

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