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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	Cavia porcellus (Guinea pig)
Gene	Adrb2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGHLGNGSDFLLAPNASHAPDHNVTRERDEAWVVGMAIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMNMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVVILMVWVVSGLTSFLPIQMHWYRATHKDAINCYAEETCCDFFTNQAYAIASSIVSFYLPLVVMVFVYSRVFQVAKKQLQKIDRSEGRFHTQNLSQVEQDGRSGHGLRRSSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWVGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSALKAYGNDCSSNSNGKTDYTGEPNVCHQGQEKERELLCEDPPGTEDLVSCPGTVPSDSIDSQGRNYSTNDSLL
UniProt	Q8K4Z4
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	CHEMBL5414
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Inolin
Molecular formula	C19H23NO5
IUPAC name	1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Molecular weight	345.395
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	2.5
Synonyms	CTK4C2838 RGVPOXRFEPSFGH-UHFFFAOYSA-N 1-(3',4',5'-trimethoxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline AC1Q56F8 LS-173897 Tretoquinol [MI] 1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol 14187-92-9 R(+)-TMQ (+_)-1,2,3,4-Tetrahydro-1-[(3,4,5-trimethoxyphenyl)methyl]-6,7-isoquinolinediol 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((3,4,5-trimethoxyphenyl)methyl)- DL-Trimetoquinol SCHEMBL249002 1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-isoquinoline-6,7-diol 1-(3,4,5-Trimethoxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline AQ-110 PDSP1_000588 Tretoquinol, (+/-)- (+/-)-6,7-Dihydroxy-1-(3',4',5'-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline 21650-42-0 CHEMBL299175 Racemic-trimetoquinol AC1L1KNZ TMQ, Racemic 1-(3,4,5-Trimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol # 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol BDBM50019355 PDSP2_000585 Trimetoquinol HCl (+/-)-Trimetoquinol [ Show all ]
Inchi Key	RGVPOXRFEPSFGH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
PubChem CID	5581
ChEMBL	CHEMBL299175
IUPHAR	N/A
BindingDB	50019355
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	26.3 nM	PMID1346651	ChEMBL
Intrinsic activity	0.99 -	PMID1346651	ChEMBL
Ki	22.9 nM	PMID7915318	BindingDB
Ki	48.98 nM	PMID1346651	ChEMBL
Ki	104.71 nM	PMID7915318	BindingDB
pD2	7.26 -	PMID9016331	ChEMBL
Potency ratio	1.0 -	PMID1346651, PMID9016331	ChEMBL

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