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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	metaproterenol
Molecular formula	C11H17NO3
IUPAC name	5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
Molecular weight	211.261
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	0.7
Synonyms	SBI-0050712.P004 CCG-38914 Spectrum5_000952 D08300 GTPL7250 KBio2_003973 LS-42870 3,5-Dihydroxy-.alpha.-((isopropylamino)methyl)benzyl alcohol Metaproterenol sulfate 5-[1-Hydroxy-2-(isopropylamino)ethyl]-1,3-benzenediol # NCGC00094718-02 Orciprenalina Alotec Orciprenalinum [INN-Latin] Benzyl alcohol, 3,5-dihydroxy-.alpha.-((isopropylamino)methyl)- BRD-A07780951-001-06-3 SPBio_002350 CHEBI:83329 SR-01000075168-1 DB00816 HMS3259J13 KBioGR_000507 1,3-Benzenediol, 5-(1-hydroxy-2-((1-methylethyl)amino)ethyl)- (9CI) Metaprel 5-(1-Hydroxy-2-(isopropylamino)ethyl)benzene-1,3-diol NCGC00015655-03 5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol Novasmasol AB00052037_09 Orciprenaline (INN) Alupent (TN) Prestwick1_000505 Prometa BSPBio_001983 Spectrum3_000492 CPD001453712 [2-(3,5-Dihydroxy-phenyl)-2-hydroxy-ethyl]-isopropyl-ammonium EINECS 209-569-1 KBio1_000645 LMOINURANNBYCM-UHFFFAOYSA-N 1,3-Benzenediol, 5-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]- Metaproterenol polistirex 5-[1-hydroxy-2-(1-methylethylamino)ethyl]benzene-1,3-diol NCGC00015655-06 586-06-1 NSC757089 ACMC-20m2sn Orciprenaline [INN] Astmopent Benzyl alcohol, 3,5-dihydroxy-alpha-((isopropylamino)methyl)- SCHEMBL4270 CCRIS 9017 Spectrum_000925 D0Y2MV HMS1920L09 KBio2_006541 (RS)-1-(3,5-Dihydroxyphenyl)-2-isopropylaminoethanol M-3070 3,5-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol NC00651 5-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,3-diol NCGC00094718-03 99396-41-5 Orciprenalina [INN-Spanish] Alotec (TN) Pharmakon1600-01500390 BRN 2807247 SPECTRUM1500390 SR-01000075168-4 DivK1c_000645 HMS502A07 KBioSS_001405 1,3-Benzenediol, 5-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-(9CI) Metaprel (TN) 5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-diol NCGC00015655-04 5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol, 6 Novasmasol (TN) AB00052037_10 Orciprenaline sulfate AN-46122 Prestwick2_000505 SAM002548965 C07144 Spectrum4_000044 D02UFG [2-(3,5-Dihydroxy-phenyl)-2-hydroxy-ethyl]-isopropyl-ammonium (orciprenaline) EN300-142650 KBio2_001405 Lopac0_000734 1-(3,5-Dihydroxyphenyl)-2-isopropylaminoethanol Metaproterenol Polistirex (metaproterenol) 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol NCGC00094718-01 586O061 Orciprenalin AKOS022506181 Orciprenalinum BDBM50295572 BPBio1_000473 SPBio_000052 CHEBI:6792 SR-01000075168 HMS2091D04 KBio3_001483 1,3-Benzenediol, 5-(1-hydroxy-2-((1-methylethyl)amino)ethyl)- MCULE-8722254342 3,5-dihydroxy-alpha-[(isopropylamino)methyl]benzenemethanol NCGC00015655-02 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol NINDS_000645 AB00052037 ORCIPRENALINE Alupent Prestwick0_000505 Prestwick3_000505 BSPBio_000429 Spectrum2_000096 CHEMBL776 TH-152 DTXSID8048529 IDI1_000645 L000678 1,3-Benzenediol, 5-[(1R)-1-hydroxy-2-[(1-methylethyl)amino]ethyl]- 5-(1-Hydroxy-2-propan-2-ylamino-ethyl)benzene-1,3-diol NCGC00015655-05 NSC-757089 AC1L1HDP Orciprenaline [INN:BAN] API0006235 [ Show all ]
Inchi Key	LMOINURANNBYCM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
PubChem CID	4086
ChEMBL	CHEMBL776
IUPHAR	7250
BindingDB	50295572
DrugBank	DB00816
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Delta G	7.62 -	PMID2836587	ChEMBL
-Log KD	5.37 -	PMID2993621	ChEMBL
Kd	9120.0 nM	PMID2993621	BindingDB,ChEMBL

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