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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	terbutaline
Molecular formula	C12H19NO3
IUPAC name	5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol
Molecular weight	225.288
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	0.9
Synonyms	EINECS 245-385-8 KBio2_001510 031T256 L000594 23031-25-6 NINDS_000078 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol, 5 SBI-0051094.P004 ACM23031256 Spectrum_001030 Benzyl alcohol, .alpha.-((t-butylamino)methyl)-3,5-dihydroxy- Terbutaline (sulfate de) Brethine Terbutalinum Bricyn CHEMBL1760 I01-3464 KBio3_001566 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-(9CI) LS-7713 46719-29-3 PDSP2_000157 SPBio_002522 API0005740 Terbutalin BRD-A50157456-065-02-4 Terbutaline [INN:BAN] Bricanyl VA11844 BSPBio_002066 D0M8RC DivK1c_000078 KB-243251 (+-)-Terbutaline KWD 2019 1-(3',5'-dihydroxyphenyl)-2-(t-butylamino)-ethanol NCGC00016010-06 5-[2-(tert-Butylamino)-1-hydroxyethyl]-1,3-benzenediol # Prestwick2_000391 AB00053548_15 Spectrum4_000870 AX8152612 Brethaire (Salt/Mix) Terbutalino Bricar CHEBI:9449 FT-0654976 KBio2_004078 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)- Lopac0_001126 23031-32-5 (Sulfate) Oprea1_823972 5-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzene-1,3-diol SCHEMBL4391 AKOS015889885 SR-01000000174 Benzyl alcohol, alpha-((t-butylamino)methyl)-3,5-dihydroxy- Terbutaline sulfate Brethine (TN) Terbutalinum [INN-Latin] BRN 2370513 CTK8E4128 IDI1_000078 KBioGR_001539 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, (+-)- NCGC00016010-03 5-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-1,3-BENZENEDIOL Prestwick0_000391 A816514 Spectrum2_001327 Asthmasian Terbutalina BRD-A50157456-065-12-3 Terbutaline,(+/-) Bricanyl (Salt/Mix) XWTYSIMOBUGWOL-UHFFFAOYSA-N C07129 DTXSID7021310 KBio1_000078 KWD-2019 2-t-Butylamino-1-(3,5-dihydroxyphenyl)ethanol NCGC00089821-02 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol Prestwick3_000391 AC1L1KA2 Spectrum5_001262 BDBM25770 Terbutaline (INN) Brethaire (TN) Terbutalino [INN-Spanish] Bricaril GTPL560 KBio2_006646 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)- (9CI) LS-29961 PDSP1_000158 5-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}benzene-1,3-diol SPBio_001453 alpha-[(tert-butylamino)methyl]-3,5-dihydroxybenzenemethanol SR-01000000174-2 BPBio1_000663 Terbutaline sulfate (Salt/Mix) Brican TR-036208 BSPBio_000601 D08570 J-014950 (+-)-5-(2-((1,1-Dimethylethyl)amino)-1-hydroxyethyl)-1,3-benzenediol KBioSS_001510 1,3-Benzenediol, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]- NCGC00016010-04 5-(2-(tert-Butylamino)-1-hydroxyethyl)benzene-1,3-diol Prestwick1_000391 AB00053548 Spectrum3_000593 Asthmasian (TN) Terbutalina [DCIT] Brethaire Terbutalini sulfas Bricanyl (TN) CCG-205201 DB00871 [ Show all ]
Inchi Key	XWTYSIMOBUGWOL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
PubChem CID	5403
ChEMBL	CHEMBL1760
IUPHAR	560
BindingDB	25770
DrugBank	DB00871
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Delta G	8.13 -	PMID2836587	ChEMBL
-Log KD	5.73 -	PMID2993621	ChEMBL
cAMP production	50.0 pM min-1 mg-1	PMID2870189	ChEMBL
Concentration	1.0 M	PMID2870189	ChEMBL
ISA	0.41 -	PMID2870189	ChEMBL
Kd	3980.0 nM	PMID2993621	BindingDB,ChEMBL
Kd	4480.0 nM	PMID2870189	BindingDB
KD app	4.48 uM	PMID2870189	ChEMBL

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