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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	1-(Isopropylamino)-3-phenoxypropan-2-ol
Molecular formula	C12H19NO2
IUPAC name	1-phenoxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight	209.289
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	1.7
Synonyms	(2RS)-1-((1-Methylethyl)amino)-3-phenoxypropan-2-ol 1-[(1-methylethyl)amino]-3-phenoxy-2-Propanol AKOS000301409 CS-0061042 HMS1685A01 Metoprolol succinate impurity F [EP] SCHEMBL7367812 2-PROPANOL, 1-[(1-METHYLETHYL)AMINO]-3-PHENOXY- AB0088237 BBL007800 D0J4JA KB-64743 N-isopropyl-phenoxypropanolamine ST24037611 T7065 (2-hydroxy-3-phenoxypropyl)(isopropyl)amine 1-phenoxy-3-(propan-2-ylamino)propan-2-ol 3-[(methylethyl)amino]-1-phenoxypropan-2-ol AG-690/32528022 GTPL546 Metoprolol IMpurity 06 SBB011228 (2RS)-1-[(1-Methylethyl)amino]-3-phenoxypropan-2-ol 1-[(methylethyl)amino]-3-phenoxypropan-2-ol ANW-65136 CTK7J6811 ICI 45849 Metoprolol tartrate specified impurity F [EP] SR-01000319120 1-(phenoxy)-3-(propan-2-ylamino)propan-2-ol 2-Propanol, 1-[(1-methylethyl)amino]-3-phenoxy-, (S)- AC1MK3KK BDBM50169785 Desmethoxyethyl metoprolol KS-00000QBF Oprea1_256732 ST45137466 TR-042056 (2-hydroxy-3-phenoxypropyl)(propan-2-yl)amine 1-phenoxy-3-[(propan-2-yl)amino]propan-2-ol 4CH-024157 AK103075 CHEMBL7154 H-9/64 Metoprolol Impurity F SC1422 1-(isopropylamino)-3-phenoxy-2-propanol 2-Propanol, 1-((1-methylethyl)amino)-3-phenoxy- 7695-63-8 BAS 01022380 D0C7PK ICI-45849 MolPort-001-952-623 SR-01000319120-1 (2-Hydroxy-3-phenoxy-propyl)-isopropyl-ammonium 1-Isopropylamino-3-phenoxy-propan-2-ol 2005AC ACMC-20ma45 CCG-125023 DS-4011 MCULE-1010533153 Oprea1_349492 STK279775 [ Show all ]
Inchi Key	ONXLHKFGTDDVLQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
PubChem CID	3123920
ChEMBL	CHEMBL7154
IUPHAR	546
BindingDB	50169785
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	7.57 -	PMID2993621	ChEMBL
Kd	53700.0 nM	PMID2993621	BindingDB,ChEMBL

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