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GLASS

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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	Prenalterol
Molecular formula	C12H19NO3
IUPAC name	4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
Molecular weight	225.288
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	1.4
Synonyms	C07533 FT-0630699 LS-104700 S-Varbian (S)-1-(4-hydroxyphenoxy)-3-(1-methylethyl)amino-2-propanol ADUKCCWBEDSMEB-NSHDSACASA-N API0006933 CHEBI:8391 H-133-22 Phenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (S)- ZINC897007 (S)-Prenalterol 58165-86-9 BRN 5740338 D0JK0I KB-211509 Prenalterolum 4-[(2S)-2-Hydroxy-3-[(1-methylethyl)amino]propoxy]phenol AC1L27QA CC-33915 GTPL537 M4G34404CX SCHEMBL249753 (S)-4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)phenol AJ-24264 AX8149043 H-80-62 4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenol 61260-05-7 (hydrochloride) C-12776 EINECS 260-791-5 KWD-2033 Prenalterolum [INN-Latin] (-)-Prenalterol 4-{[(2s)-2-hydroxy-3-(isopropylamino)propyl]oxy}phenol AC1Q579K CGP 7760B H 133/22 PHENOL METABOLITE UNII-M4G34404CX (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenol 57526-81-5 AKOS016014110 BDBM50421716 CHEMBL1160714 Hyprenan Prenalterol [INN:BAN] 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol A-Ba-C-50,005 [ Show all ]
Inchi Key	ADUKCCWBEDSMEB-NSHDSACASA-N
Inchi ID	InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m0/s1
PubChem CID	42396
ChEMBL	CHEMBL1160714
IUPHAR	537
BindingDB	50421716
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Delta G	8.9 -	PMID2836587	ChEMBL
-Log KD	6.27 -	PMID2993621	ChEMBL
Kd	1072.0 nM	PMID2993621	BindingDB,ChEMBL

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