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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Beta-2 adrenergic receptor
Species	Bos taurus (Bovine)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGQPGNRSVFLLAPNASHAPDQNVTLERDEAWVVGMGILMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGACHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYLAITSPFKYQCLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRASHKEAINCYAKETCCDFFTNQPYAIASSIVSFYLPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNVSQVEQDGRSGLGQRRTSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIKDNLIRKEIYILLNWLGYINSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGCSSNSNDRTDYTGEQSGYHLGEEKDSELLCEDPPGTENFVNQQGTVPSDSIDSQGRNCSTNDSLL
UniProt	Q28044
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3373
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Ko 1313
Molecular formula	C13H18N2O2
IUPAC name	2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile
Molecular weight	234.299
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.7
Synonyms	2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile SCHEMBL11200218 AC1L1Z05 BENZONITRILE, o-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)- o-(2-Hydroxy-3-(isopropylamino)propoxy)benzonitrile 38555-07-6 CHEMBL1159888 AKOS009350657 KO-1313 2-Nitrilo-N-isopropyl phenoxypropanolamine BRN 2733067 o-[2-hydroxy-3-(isopropylamino)-propoxy]-benzonitril CTK8I5324 BDBM50421730 LS-38723 [ Show all ]
Inchi Key	YTTFGUYTPJYRBQ-UHFFFAOYSA-N
Inchi ID	InChI=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 CID	38065
ChEMBL	CHEMBL1159888
IUPHAR	N/A
BindingDB	50421730
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Log KD	7.96 -	PMID2993621	ChEMBL
Kd	21.88 nM	PMID2993621	ChEMBL
Kd	22.0 nM	PMID2993621	BindingDB

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